The solid-state structure of 3-hydroxy-4-methyl-2(3H)-thiazolethione: Prediction and measurement

Authors
Bond, AD Feeder, N Teat, SJ Jones, W
Citation
Ad. Bond et al., The solid-state structure of 3-hydroxy-4-methyl-2(3H)-thiazolethione: Prediction and measurement, TETRAHEDRON, 56(36), 2000, pp. 6617-6624
Citations number
47
Categorie Soggetti
Chemistry & Analysis","Organic Chemistry/Polymer Science
Journal title
TETRAHEDRON
ISSN journal
00404020 → ACNP
Volume
56
Issue
36
Year of publication
2000
Pages
6617 - 6624
Database
ISI
SICI code
0040-4020(20000901)56:36<6617:TSSO3P>2.0.ZU;2-C
Abstract
The solid-state structure of 3-hydroxy-4-methyl-2(3H)-thiazolethione has be en determined using the synchrotron radiation source at Station 9.8, Daresb ury SRS (UK). The structure has been verified by Rietveld refinement agains t laboratory powder X-ray diffraction data. Ab initio crystal structure pre diction is successful on specification of an initial pseudo-centrosymmetric sub-unit constructed via O-H ... S hydrogen bonds. In general, such sub-un its (or supermolecules) may be identified using crystal-engineering princip les. (C) 2000 Elsevier Science Ltd. All rights reserved.