Are Oxygen and Sulfur Atoms Structurally Equivalent in Organic Crystals? | Zendy

Mérina K. Corpinot | Zendy; Rui Guo | Zendy; Derek A. Tocher | Zendy; Asma B. M. Buanz | Zendy; Simon Gaisford | Zendy; Sarah L. Price | Zendy; DejanKrešimir Bučar | Zendy

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Are Oxygen and Sulfur Atoms Structurally Equivalent in Organic Crystals?

Author(s) -

Mérina K. Corpinot,

Rui Guo,

Derek A. Tocher,

Asma B. M. Buanz,

Simon Gaisford,

Sarah L. Price,

DejanKrešimir Bučar

Publication year - 2016

Publication title -

crystal growth and design

Language(s) - English

Resource type - Journals

eISSN - 1528-7505

pISSN - 1528-7483

DOI - 10.1021/acs.cgd.6b01669

Subject(s) - isostructural , sulfur , crystallography , chemistry , oxygen atom , atom (system on chip) , crystal structure , hydrogen bond , molecule , inorganic chemistry , organic chemistry , computer science , embedded system

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.

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