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A hydrogen sulfate salt of chlordiazepoxide
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.ORCID iD: 0000-0003-2672-0041
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.ORCID iD: 0000-0002-0086-5536
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Applied Physical Chemistry.
2012 (English)In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 68, no 7, o2091-o2092 p.Article in journal (Refereed) Published
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.

Place, publisher, year, edition, pages
2012. Vol. 68, no 7, o2091-o2092 p.
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Chemical Sciences
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URN: urn:nbn:se:kth:diva-100495DOI: 10.1107/S1600536812024920Scopus ID: 2-s2.0-84863594756OAI: oai:DiVA.org:kth-100495DiVA: diva2:543823
Note
QC 20120810Available from: 2012-08-10 Created: 2012-08-09 Last updated: 2017-12-07Bibliographically approved

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Diesen, VeronicaLousada, Claudio

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