Corpinot, Merina K., Guo, Rui, Tocher, Derek A., Buanz, Asma B. M. ORCID: 0000-0002-2556-1256 , Gaisford, Simon, Price, Sarah L. and Bucar, Dejan-Kresimir (2017) Are oxygen and sulfur atoms structurally equivalent in organic crystals? Crystal Growth & Design, 17 (2). pp. 827-833. ISSN 1528-7483 (Print), 1528-7505 (Online) (doi:https://doi.org/10.1021/acs.cgd.6b01669)

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Abstract

New guidelines for the design of structurally equivalent molecular crystals were derived from structural analyses of new cocrystals and polymorphs of saccharin and thiosaccharin, aided by a computational study. The study shows that isostructural crystals may be obtained through an exchange of >C═O with >C═S in the molecular components of the solids, but only if the exchanged atom is not involved in hydrogen bonding.

Item Type:	Article
Uncontrolled Keywords:	structural analysis, saccharin and thiosaccharin cocrystals and polymorphs
Subjects:	Q Science > QD Chemistry
Faculty / School / Research Centre / Research Group:	Faculty of Engineering & Science Faculty of Engineering & Science > School of Science (SCI)
Last Modified:	24 Aug 2022 14:54
URI:	http://gala.gre.ac.uk/id/eprint/37195

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