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  • 1. Aberg, V.
    et al.
    Bostrom, D.
    Fischer, Andreas
    KTH, Superseded Departments, Chemistry.
    Almqvist, F.
    Synthesis and absolute configuration of methyl(-)-(3R)-8-(4-bromophenyl)-7-(naphthalen-1-yl-methyl)-5-oxo-2,3-dihydro-5H-thiazolo 3,2-a pyridine-3-carboxylate2002In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 58, p. o812-o814Article in journal (Refereed)
    Abstract [en]

    The title molecule, C26H20BrNO3S, contains a ring-fused 2-pyridinone framework substituted with a 4-bromo-phenyl-, a naphthalen-1-ylmethyl and a methoxycarbonyl substituent. The main goal of this work was to confirm the stereochemistry for the methoxycarbonyl substituent, which proved to be 3R. Moreover, the 4-bromophenyl substituent was shown to be rotated out of the plane of the 2-pyridinone ring, with a torsion angle of 61.2 (5)degrees. To allow the best packing arrangement, the naphthalen-1-ylmethyl substituent is positioned to mediate an intermolecular pi-pi interaction.

  • 2. Alam, Samina
    et al.
    Hasan, Mashooda
    Saeed, Sadaf
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Khan, Naeema
    cis-(9S,10S)-Methyl 1-propyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate2008In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 64, p. O361-U1624Article in journal (Refereed)
    Abstract [en]

    The title compound, C16H20N2O2, was synthesized from ( S)tryptophan methyl ester hydrochloride and butyraldehyde. The absolute configuration 9S, 10S was assigned on the basis of the unchanging chirality of the C9 centre. The NH group of the indole ring is involved in intermolecular N-H center dot center dot center dot O hydrogen bonding, while the NH group of the six-membered ring is not. This latter ring has a half-chair conformation.

  • 3. Alam, Samina
    et al.
    Hasan, Mashooda
    Saeed, Sadaf
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Khan, Naeema
    trans-(1R,3S)-methyl 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O871-O872Article in journal (Refereed)
    Abstract [en]

    The title compound, C14H16N2O2, was obtained from the reaction between S-tryptophan methyl ester hydrochloride and acetaldehyde. The molecule adopts a trans configuration, with the methyl and methoxycarbonyl groups located on opposite sides of the central tetrahydro-beta-carboline unit. Bifurcated intermolecular N-H...O/N hydrogen bonds link the molecules into chains.

  • 4. Alam, Samina
    et al.
    Saeed, Sadaf
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Khan, Naeema
    Methyl 2-(2-hydroxyacetamido)benzoate2010In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 66, p. O913-U2993Article in journal (Refereed)
    Abstract [en]

    The title compound, C10H11NO4, was formed from 4,1-benzoxazepine-2,5(1H,3H)-dione and ammonia gas. Intramolecular hydrogen bonding is present between the amide N-H group and the carbonyl O atom of the ester group. The crystal structure features intermolecular O-H center dot center dot center dot O hydrogen bonds.

  • 5.
    Diesen, Veronica
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Lousada, Claudio
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    A hydrogen sulfate salt of chlordiazepoxide2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, no 7, p. o2091-o2092Article in journal (Refereed)
    Abstract [en]

    Crystals of the hydrogen sulfate salt of chlordiazepoxide (systematic name: 7-chloro-Nmethyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-iminium 4-oxide hydrogen sulfate), C 16H 15ClN 3O +·HSO 4 -, were obtained from a solution of chlordiazepoxide and sulfuric acid in methanol. The structure features chlordiazepoxide molecules that are protonated at the imine N atom. The seven-membered ring adopts a boat conformation with the CH 2 group as the prow and the two aryl C atoms as the stern. The dihedral angle between the benzene rings is 72.41 (6)°. In the crystal, the HSO 4 - anion acts as a bridging group between two chlordiazepoxide cations. The H atom of the protonated imino N forms an N - H⋯O hydrogen bond with a hydrogen sulfate ion. The anion in turn forms two hydrogen bonds, O - H⋯O with the anion as donor and N - H⋯O with the anion as acceptor, to generate an R 2 2(10) loop. Each HSO 4 - anion connects two chlordiazepoxide moieties of the same chirality.

  • 6. Ekstrom, J.
    et al.
    Ott, S.
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    Akermark, B.
    Eriksson, L.
    Pentacarbonyl(diphenyl(N-propylamine)phosphine)diiron(mu-1,3-propanedithiolate)2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. M852-M853Article in journal (Refereed)
    Abstract [en]

    The title compound, (μ-(SCH2)(2)CH2) Fe(CO)(3)Fe(CO)(2)P( C6H5)(2)NHCH2CH2CH3, has been prepared and characterized as a a model substance for a class of enzymes known as hydrogenases.

  • 7. Eriksson, M.
    et al.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Lind, Johan
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Nuclear Chemistry.
    Zazzi, A.
    2R, 3S)-2,3-dibromosuccinic acid2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O200-O201Article in journal (Refereed)
    Abstract [en]

    Crystals of the title compound, C4H4Br2O4, were grown from an aqueous solution. The structure features centrosymmetric molecules, each of which forms hydrogen bonds with two adjacent acid molecules, yielding long chains.

  • 8.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    2-bromofumaric acid2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O4190-O4191Article in journal (Refereed)
    Abstract [en]

    Single crystals of 2-bromofumaric acid, C4H3BrO4, were obtained from an aqueous solution of racemic 2,3-dibromosuccinic acid and (-)-quinine. The title compound crystallizes with two molecules in the asymmetric unit. The structure is stabilized by O - H center dot center dot center dot O hydrogen bonds forming alternating chains.

  • 9.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    2-Bromomaleic acid2009In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 65, p. O2240-U2786Article in journal (Refereed)
    Abstract [en]

    The title compound, C4H3BrO4, was obtained from a solution of meso-2,3-dibromosuccinic acid and vanadium(IV) oxide. The crystals are isostructural with chloromaleic acid and the molecule has two geometrically different carboxyl groups, one of which has delocalized C-O bonds and is essentially coplanar with the olefinic bond plane [give dihedral angle 15.08 (16)degrees], whereas the other has a localized C=O bond and forms a dihedral angle of 99.6 (3)degrees with the C C bond plane. Two symmetry-independent O-H center dot center dot center dot O hydrogen bonds link the molecules into layers parallel to the bc plane.

  • 10.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
    Chlordiazepoxide dichloromethane monosolvate2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368Article in journal (Refereed)
    Abstract [en]

    In the title compound (systematic name: 7-chloro-2-methyl­amino-5-phenyl-3H-1,4-benzodiazepine 4-oxide dichloro­meth­ane monosolvate), C16H14ClN3O·CH2Cl2, the seven-membered ring adopts a boat conformation with the CH2 group as the prow and the two aromatic C atoms as the stern. The dihedral angle between the benzene rings is 75.25 (6)°. The crystal structure features centrosymmetric pairs of chlordiazepoxide mol­ecules linked by pairs of N—H...O hydrogen bonds, which generate R22(12) loops.

  • 11.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    D-Alanine alaninium bromide2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O5786-O5788Article in journal (Refereed)
    Abstract [en]

    The title compound, C3H7NO2+Br-center dot C3H8NO2, crystallizes from an aqueous solution of D-alanine and racemic 2,3-dibromosuccinic acid. The structure includes alaninium cations and neutral zwitterionic alanine, and displays N-H center dot center dot center dot Br, N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonding.

  • 12.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Hexaaqua mu-di-mu-oxo-bis(hydroxodioxoiodate) dieuropium(III) bis(perchlorate) dihydrate2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. I262-I264Article in journal (Refereed)
    Abstract [en]

    The title compound, [Eu-2(H2I2O10)(H2O)(6)](ClO4)(2) (.) 2H(2)O, is isostructural with the corresponding Pr, Sm and Gd phases. It features Eu3+ cations, which are coordinated by centrosymmetric H2I2O10 (4-) anions and water molecules, forming positively charged sheets, separated by perchlorate anions and non-coordinated water molecules.

  • 13.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Hexaaquairon(III) perchlorate trihydrate2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. I94-I95Article in journal (Refereed)
    Abstract [en]

    A single crystal of commercially available 'iron(III) perchlorate hexahydrate' has been structurally characterized and shown to be hexaaquairon( III) tris( perchlorate) trihydrate, [Fe(H2O)(6)](ClO4)(3) (.) 3H(2)O. The structure contains [Fe(H2O)(6)](3+) complex ions, charge-balancing perchlorate ions and three water molecules of crystallization per Fe atom. A network of O-H (. . .) O hydrogen bonds helps to stabilize the crystal packing. Fe, Cl and one water O atom occupy special positions with site symmetries (3) over bar, 2, and 2, respectively.

  • 14.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Lithium hydrogen (RS)-phenylsuccinate2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. M320-M322Article in journal (Refereed)
    Abstract [en]

    From a solution of lithium hydroxide and (RS)-phenylsuccinic acid in water, crystals of the title compound, Li+.C10H9O4-, were obtained. The basic structural feature is an approximately square-planar centrosymmetric Li2O2 unit. The Li atoms in this unit are coordinated by further O atoms, yielding a distorted tetrahedral geometry around Li.

  • 15.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    (R)-1-phenylethanaminium bromide2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O2556-O2557Article in journal (Refereed)
    Abstract [en]

    The title compound, C8H12N+.Br-, was obtained from an aqueous solution of (R)-1-phenylethanamine and racemic 2,3-dibromosuccinic acid. It features a three-dimensional network of N-H center dot center dot center dot Br hydrogen bonds.

  • 16.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    (R)-1-Phenylethanaminium-(S,S)-2,3-dibromosuccinate-(R,R)-2,3-dibromosuccinic acid water (2/1/1/2)2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O1281-O1283Article in journal (Refereed)
    Abstract [en]

    From an aqueous solution of racemic 2,3-dibromosuccinic acid and (R)-1-phenylethanamine, crystals of the title compound, C8H12N+ .0.5C(4)H(2)Br(2)O(4)(2-) .0.5C(4)H(4)Br(2)O(4)(.)H(2)O, were obtained in almost quantitative yield. The structure contains both enantiomers of the starting material, dibromosuccinic acid. The S, S enantiomer is present as a dianion and the R, R enantiomer as the neutral acid; both of these components lie on twofold rotation axes. The structure features a complex two-dimensional network of hydrogen bonds.

  • 17.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Redetermination of HI3O8, an adduct of formula HIO3 center dot I2O52005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. I278-I279Article in journal (Refereed)
    Abstract [en]

    Crystals of commercial iodic( V) acid, HIO3, were investigated using single-crystal and powder X-ray diffraction. The crystals turned out to be HI3O8 or (HIO3I2O5)-I-. [iodic acid-diiodine pentaoxide (1/1)] instead, whose structure has been determined previously [Feikema & Vos (1966). Acta Cryst. 20, 769-777]. Redetermination of the structure gave higher precision and allowed the location of the H atom.

  • 18.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    (R)-phenylethanaminium fluoride monohydrate2006In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 62, p. O5834-O5835Article in journal (Refereed)
    Abstract [en]

    The title compound, C8H12FN.H2O, was crystallized from an aqueous solution. The crystal structure features N-H...F, N-H...O and O-H...F hydrogen bonding.

  • 19.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Trisilver(I) citrate2011In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 67, p. M255-U1507Article in journal (Refereed)
    Abstract [en]

    Trisilver(I) citrate, 3Ag(+)center dot C6H5O73-, was obtained by evaporation of a saturated aqueous solution of the raw material that had been obtained from sodium dihydrogen citrate and silver nitrate. It features one formula unit in the asymmetric unit. There is an intramolecular O-H center dot center dot center dot O hydrogen bond between the OH group and one of the terminal carboxylate groups. Different citrate groups are linked via the three Ag+ ions, yielding a three-dimensional network with rather irregular [AgO4] polyhedra.

  • 20.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Palladino, G.
    Tetra-n-butylammonium di-mu-hydroxobis dinitratodioxouranate(VI)2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, p. M1542-M1544Article in journal (Refereed)
    Abstract [en]

    From an aqueous solution of uranyl nitrate hexahydrate and tetra-n-butylammonium nitrate, single crystals of the title compound, (C16H36N)(2)[U-2(NO3)(4)(OH)(2)O-4], were obtained. The structure features a dimeric hydroxo-bridged tetranitratodihydroxobis[ dioxouranate(VI)] dianion.

  • 21.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Palladino, G.
    Trisodium citrate dihydrate2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. M1080-M1082Article in journal (Refereed)
    Abstract [en]

    From a solution containing uranyl nitrate and sodium citrate, single crystals of trisodium citrate dihydrate, 3Na(+).C6H5O73-.-2H(2)O, were obtained. The structure consists of a complex network of citrate and sodium ions. Additionally, hydrogen bonds between the citrate ions and the water of crystallization are formed.

  • 22.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    A 2-propanol solvate of (RS)-phenylsuccinic acid2004In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 60, p. O979-O981Article in journal (Refereed)
    Abstract [en]

    A solvate of (RS)-phenylsuccinic acid (RS-PSA) has been obtained from 2-propanol ( IPA). The compound, C10H10O4.C3H8O, crystallizes in the monoclinic crystal system (space group C2/c). It features molecules of the S form of the acid, one of whose carboxy groups is connected to one carboxy group of a molecule of the opposite chirality via two hydrogen bonds. The second carboxy group of the S molecule is connected to two other S molecules via the OH groups of two 2-propanol solvent molecules.

  • 23.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    A metastable modification of (RS)-mandelic acid2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. O1113-O1116Article in journal (Refereed)
    Abstract [en]

    A metastable modification of (RS)-mandelic acid, C8H8O3, was obtained from an aqueous solution. The structure features hydrogen-bonded double chains of acid molecules, which run along the a axis of the crystal. The structure shows a close relationship to that of the pure enantiomer and differs significantly from the structure of the stable modification of the racemate. There are two molecules in the asymmetric unit.

  • 24.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    (RS)-Phenylsuccinic acid2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. O485-O487Article in journal (Refereed)
  • 25.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Profir, V. M.
    (S)-Phenylsuccinic acid2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. O319-O320Article in journal (Refereed)
    Abstract [en]

    (S)-Phenylsuccinic acid, C10H10O4, crystallizes from water with two molecules per asymmetric unit. In the crystal structure, the carboxyl groups of each acid molecule are connected to those of adjacent molecules via hydrogen bonds; each molecule is connected to three other molecules, forming infinite chains.

  • 26.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Swamy, M. T.
    Narayana, B.
    Yathirajan, H. S.
    rac-Ethyl 3-(3-bromo-2-thienyl)-2-oxo-6-(4-propoxyphenyl)cyclohex-3-ene-1-carboxyl ate2008In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 64, p. O2152-U2248Article in journal (Refereed)
    Abstract [en]

    The racemic title compound, C22H23BrO4S, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the thiophene and phenyl rings are 71.64 (17) and 73.41 (17)degrees.

  • 27.
    Fischer, Andreas
    et al.
    KTH, Superseded Departments, Chemistry.
    Szabo, Zoltan
    KTH, Superseded Departments, Chemistry.
    Sodium pentafluorouranate(IV) monohydrate, Na[UF5]center dot H2O2004In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 60, p. I45-I46Article in journal (Refereed)
    Abstract [en]

    Na[UF5]·H2O crystallizes in the orthorhombic space group Pbcn. It contains a uranium(IV) ion, which is coordinated by nine F- ions yielding a tricapped trigonal prism. Some of the F - ions function as bridging ligands coordinating to the Na + ion. The latter is coordinated by four F- ions. Together with two molecules of water of crystallization, a distorted octahedral coordination around Na+ is obtained.

  • 28.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojin, B. K.
    (7RS,8SR)-ethyl 6-(1,3-benzodioxol-5-yl)-3-(3-bromo-2-thienyl)-2-oxocyclohex-3-ene-1-carboxylate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O3616-U4513Article in journal (Refereed)
    Abstract [en]

    The title compound, C20H17BrO5S, crystallizes as a racemate. The dihedral angle between the thiophene and benzene rings is 66.91 (13)degrees.

  • 29.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(2,4-dichlorophenyl)-prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1351-o1352Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H14Cl2O, was prepared from biphenyl-4-carbaldehyde and 2,4-dichloroacetophenone. Single crystals were obtained from acetone. The compound crystallizes with four molecules in the asymmetric unit, all of which deviate significantly from planarity.

  • 30.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)-prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1355-o1356Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H15BrO, was obtained from 4-bromoacetophenone and biphenyl-4-carbaldehyde. The geometry of the molecule is unexceptional. The compound crystallizes isostructurally with the corresponding chloro compound.

  • 31.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1353-o1354Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H15ClO, was prepared from biphenyl-4-carbaldehyde and 4-chloroacetophenone. Single crystals were obtained from acetone. The compound is isostructural with the corresponding Br compound. The molecule deviates significantly from planarity.

  • 32.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1349-o1350Article in journal (Refereed)
    Abstract [en]

    The title compound, C22H18O2, was prepared from biphenyl-4-carbaldehyde and 4-methoxyacetophenone. The molecule deviates significantly from planarity.

  • 33.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (2E)-3-(biphenyl-4-yl)-1-phenylprop-2-en-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1357-o1358Article in journal (Refereed)
    Abstract [en]

    The title compound, C21H16O, was prepared from biphenyl-4-carbaldehyde and acetophenone. The molecule is essentially planar.

  • 34.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    (8RS,9SR)-Ethyl4-(3-bromothien-2-yl)-6(2-furyl)-2-oxocyclohex-3-ene-1-carboxylate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O254-O255Article in journal (Refereed)
    Abstract [en]

    The title compound, C17H15BrO4S, was synthesized from (2E)1-(3-bromo-2-thienyl)-3-(2-furyl)prop-2-en-1-one and ethyl acetoacetate in an ethanol solution. Single crystals were obtained from an ethyl acetate/hexane mixture. The crystal packing is stabilized by van der Waals forces.

  • 35.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Ashalatha, B. V.
    Narayana, B.
    Sarojini, B. K.
    Ethyl 4-(3-bromo-2-thienyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate2008In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 64, p. O560-U861Article in journal (Refereed)
    Abstract [en]

    The title compound, C19H17BrO3S, crystallizes with two molecules in the asymmetric unit. The methyl group of one molecule is disordered approximately equally over two positions. The dihedral angles between the thiophene and phenyl groups are 68.5 (2) and 67.5 (2)degrees in the two molecules.

  • 36.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Mithun, A.
    Bindya, S.
    Narayana, B.
    Ethyl 7-methyl-2- 4-(methylsulfanyl)benzylidene -5- 4-(methylsulfanyl) phenyl -3-oxo-2,3-dihydro-5H-thiazolo 3,2-a pyrimidine-6-carboxylate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. o1224-o1225Article in journal (Refereed)
    Abstract [en]

    The title compound, C25H24N2O3S3, was crystallized from a methanol - acetone mixture. The monoclinic structure features one molecule in the asymmetric unit. The crystal packing is stabilized by pi stacking.

  • 37.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Sarojini, B. K.
    Bindya, S.
    Narayana, B.
    1-(4-Methoxyphenyl)-5-phenylpenta-2,4-dien-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O3540-U3779Article in journal (Refereed)
    Abstract [en]

    The title compound, C18H16O2, was prepared using literature procedures and crystallized from an acetone-toluene solution (50:50 v/v). The dihedral angle between the two aromatic rings is 9.28 (8) angstrom. The crystal packing is stabilized by van der Waals forces.

  • 38.
    Fischer, Andreas
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Yathirajan, H. S.
    Sarojini, B. K.
    Bindya, S.
    Narayana, B.
    1-(4-Methylphenyl)-5-phenylpenta-2,4dien-1-one2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O2832-U2003Article in journal (Refereed)
    Abstract [en]

    The title compound, C18H16O, features two conjugate double bonds, both in E conformations. The molecule is essentially planar: the dihedral angle between the two phenyl groups is 9.4 ( 1)degrees.

  • 39.
    Gorlov, Mikhail
    et al.
    KTH, Superseded Departments, Chemistry.
    Fischer, Andreas
    KTH, Superseded Departments, Chemistry.
    Kloo, Lars A.
    KTH, Superseded Departments, Chemistry.
    Potassium tetrachlorogallate2003In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 59, p. I70-I71Article in journal (Refereed)
    Abstract [en]

    From a solution of potassium tetrachloroplatinate and gallium trichloride in benzene, potassium tetrachlorogallate, K[GaCl4], could be crystallized and its structure determined. The crystal structure is isotypic with Ga[AlCl4]. It consists of tetrahedral anions GaCl4- and potassium cations which are coordinated by Cl- in a tricapped trigonal prismatic geometry.

  • 40.
    Gracin, Sandra
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    4-Hydroxyphenylacetic acid2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, no 6, p. O1919-O1920Article in journal (Refereed)
    Abstract [en]

    The crystal structure of commercially available 4-hydroxyphenylacetic acid, C8H8O3, is non-centrosymmetric, with four hydrogen bonds between each molecule and adjacent molecules. The hydrogen bonds link the molecules in the crystal structure into an infinite three-dimensional framework.

  • 41.
    Gracin, Sandra
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Redetermination of the beta-polymorph of p-aminobenzoic acid2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, no 5, p. O1242-O1244Article in journal (Refereed)
    Abstract [en]

    Single crystals of p-aminobenzoic acid, C7H7NO2, were grown from water. In the structure, there is one molecule of the acid present in the asymmetric unit. Hydrogen bonds between adjacent molecules lead to the formation of a three-dimensional network.

  • 42.
    Gracin, Sandra
    et al.
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
    Svärd, Michael
    KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry (closed 20110630).
    4-aminophenylacetic acid2005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, no 6, p. O1536-O1537Article in journal (Refereed)
    Abstract [en]

    Crystals of the title compound, C8H9NO2, were obtained from ethyl acetate. The structure consists of the acid in its zwitterionic form. In the crystal structure, each molecule interacts through strong N-H center dot center dot center dot O hydrogen bonds with six adjacent molecules, yielding a three-dimensional network.

  • 43.
    Hutchinson, Daniel J.
    et al.
    Department of Chemistry, University of Otago.
    Hanton, Lyall R.
    Department of Chemistry, University of Otago.
    Moratti, S. C.
    Department of Chemistry, University of Otago.
    2-Methyl-4,6-bis-(1-methyl-hydrazino)pyrimidine2009In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 65, no Pt 7, p. o1546-Article in journal (Refereed)
    Abstract [en]

    In the title compound, C(7)H(14)N(6), the amine groups of the two methyl-hydrazino substituents are orientated in the opposite direction to the methyl substituent at the 2-position of the pyrimidine ring. The mol-ecule is almost planar with only the two amine N atoms lying substanti-ally out of the mean plane of the pyrimidine ring [by 0.1430 (2) and 0.3092 (2) A]. The H atoms on these amine groups point inwards towards the aromatic ring, such that the lone pair of electrons points outwards from the mol-ecule. Each mol-ecule is linked to two others through N-Hcdots, three dots, centeredN hydrogen bonds between the two amino groups, forming a one-dimensional chain in the [010] direction. Offset face-to-face pi-pi stacking inter-actions between the pyrimidine rings organize these chains into a two-dimensional array [centroid-centroid distance = 3.789 (2) A].

  • 44.
    Lindsjö, Martin
    KTH, School of Chemical Science and Engineering (CHE), Chemistry.
    Tetratellurium Bis[heptachlorodigallate(III)], Te4[Ga2Cl7]22005In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 61, no 2, p. 118-119Article in journal (Refereed)
    Abstract [en]

    Te4[Ga2Cl7]2 has been isolated from GaCl3-benzene media and its structure determined. The structure features a centrosymmetric square-planar Te42+ cation and staggered [Ga2Cl7]- anions, consisting of two corner-sharing GaCl4 tetrahedra. The chlorine bridge between the Ga atoms in the anion is bent. The title compound is isotypic with Te 4[Al2Cl7]2.

  • 45. Moncol, Jan
    et al.
    Segla, Peter
    Jaskova, Jana
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Melnik, Milan
    Aquabis(3-pyridylacrylato)-kappa O-2,O '; kappa O-bis(3-pyridylmethanol-kappa N)copper(II)2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. m698-m700Article in journal (Refereed)
    Abstract [en]

    In the title complex, [Cu(C8H6NO2)(2)(C6H7NO)(2)(H2O)], the Cu2+ ion has a highly distorted square-bipyramidal (4 + 1 + 1) coordination environment, and is bonded to three carboxylate O atoms of two 3-pyridylacrylate anions (monodentate and asymetric bidentate), two pyridine N atoms of 3-pyridyl-methanol ligands and one water O atom. O-(HO)-O-... and O-(HN)-N-... hydrogen bonds result in the formation of a two-dimensional layer structure.

  • 46. Moncol, Jan
    et al.
    Segla, Peter
    Miklos, Dusan
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    Marian, Koman
    trans-Diaquabis(ethylenediamine-kappa N-2,N '') copper(II) bis 3-(3-pyridyl)-propionate dihydrate2008In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 64, p. M509-U35Article in journal (Refereed)
    Abstract [en]

    The asymmetric unit of the title complex, [Cu(C2H8N2)(2)-(H2O)(2)](C8H8NO2)(2)center dot 2H(2)O, contains one anion, one half-cation and one water molecule. The Cu-II atom in the [Cu(en)(2)(H2O)(2)](2+) cation (en is ethylenediamine) lies on an inversion centre. The four N atoms of the en ligands in the equatorial plane around the Cu-II atom form a slightly distorted square-planar arrangement, while the slightly distorted Jahn-Teller octahedral coordination is completed by two water O atoms in axial positions. In the crystal structure, intra- and intermolecular N - H center dot center dot center dot O and O - H center dot center dot center dot O hydrogen bonds form a three-dimensional network.

  • 47. Pan, Y. -Z
    et al.
    Wang, Y. -G
    Liu, J. -H
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10H-phenothiazine2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, no 3, p. o649-Article in journal (Refereed)
    Abstract [en]

    In the title compound, C 17H 15N 3OS, the phenothia-zine ring system is slightly bent, with a dihedral angle of 13.68 (7)° between the benzene rings. The dihedral angle between the oxadiazole ring and the adjacent benzene ring is 7.72 (7)°. In the crystal, a π-π interaction with a centroid-centroid distance of 3.752 (2) Å is observed between the benzene rings of neighbouring molecules.

  • 48. Pan, Y. -Z
    et al.
    Wang, Y. -G
    Liu, Jianhui
    Sun, Licheng
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Organic Chemistry.
    2-(5-Bromothiophen-2-yl)-5-[5-(10-ethyl-phenothia-zin-3-yl)thiophen-2-yl] -1,3,4-oxadiazole2012In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, no 5, p. o1383-o1384Article in journal (Refereed)
    Abstract [en]

    The molecule of the title compound, C 24H 16BrN 3OS 3, contains three approximately planar fragments, viz. an oxadiazole ring plus two adjacent thiophene groups, and two phenothia-zine benzene rings, with largest deviations from the least-squares planes of 0.051 (3), 0.019 (4) and 0.014 (3) Å, respectively. The phenothia-zine unit adopts a butterfly conformation, with a dihedral angle of 38.06 (15)°between the terminal benzene rings. The dihedral angle between the 2,5-bis-(thiophen-2- yl)oxadiazole unit and the attached benzene ring is 15.35 (11)°. In the crystal, molecules form stacks along the b-axis direction; neighboring molecules within the stack are related by inversion centers, with shortest inter-centroid separations of 3.741 (2) and 3.767 (2) Å.

  • 49.
    Paulsson, Heléne
    et al.
    KTH, Superseded Departments, Chemistry.
    Fischer, Andreas
    KTH, Superseded Departments, Chemistry.
    Kloo, Lars A.
    KTH, Superseded Departments, Chemistry.
    Bis[bis(12-crown-4)potassium] hexaiodotetracuprate(I)2004In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 60, no 5, p. M548-M550Article in journal (Refereed)
    Abstract [en]

    From 12-crown-4, KI, and CuI in an acetone solution, the title compound, [K(C16H32O8)(2)](2)[Cu4I6], was obtained. It consists of sandwich-type [(12-crown-4)(2)K](+) complex cations and polymeric [Cu4I6](2-) anions. The latter consist of CuI4 tetrahedra, which share edges and faces to form infinite chains.

  • 50. Ranjbar, Parviz Rashidi
    et al.
    Abbasi, Alireza
    Vafakish, Bahareh
    Fischer, Andreas
    KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
    1- (2-Hydroxy-1-naphthyl)(phenyl)methyl -2-naphthol ethanol solvate2007In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, p. O2093-O2094Article in journal (Refereed)
    Abstract [en]

    In the title compound, C27H20O2 center dot C2H6O, intra- and intermolecular O-H center dot center dot center dot O hydrogen bonds link the molecules and seem to be effective in the stabilization of the crystal structure. All the H atoms in the hydroxyl groups are disordered.

12 1 - 50 of 57
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