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Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol
2018 (English)In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 20, no 1, p. 88-95Article in journal (Refereed) Published
Abstract [en]

A new compound, 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol, has been discovered, described, and its crystal polymorphism investigated. The crystal structures of two polymorphs have been solved with single-crystal X-ray diffraction. The molecule is chiral with four stereo centers, and both polymorphs crystallise in the non-centrosymmetric orthorhombic, chiral P2(1)2(1)2(1) space group, with one molecule in the asymmetric unit. In both structures the molecules are arranged three dimensionally in an interlocked manner, stabilized by strong O-H center dot center dot center dot O and weaker C-H center dot center dot center dot O and pi center dot center dot center dot pi interactions. The polymorphs have been characterized by X-ray powder diffraction (XRPD) and infrared spectroscopy (IR). The thermodynamic stability relationship between the polymorphs from 280 K up to the melting points has been quantitatively determined by differential scanning calorimetry (DSC), through measurement of melting points, heats of fusion, and heat capacities of the solid phases and the supercooled melt. It is established that the relationship is most likely monotropic, with one polymorph (FI) stable throughout the entire evaluated temperature range. The stability relationship at room temperature has been confirmed by a slurry conversion experiment.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY , 2018. Vol. 20, no 1, p. 88-95
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Materials Chemistry
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URN: urn:nbn:se:kth:diva-220812DOI: 10.1039/c7ce01135kISI: 000418382200009Scopus ID: 2-s2.0-85038578430OAI: oai:DiVA.org:kth-220812DiVA, id: diva2:1174743
Note

QC 20180116

Available from: 2018-01-16 Created: 2018-01-16 Last updated: 2018-01-16Bibliographically approved

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Svärd, MichaelRasmuson, Åke C.

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