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Are oxygen and sulfur atoms structurally equivalent in organic crystals?

Are oxygen and sulfur atoms structurally equivalent in organic crystals?

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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