Are Oxygen and Sulfur Atoms Structurally Equivalent in Organic Crystals?
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- 作者：Mérina K. Corpinot ; Rui Guo ; Derek A. Tocher ; Asma B. M. Buanz ; Simon GaisfordSarah L. Price ; Dejan-Krešimir Bučar
- 刊名：Crystal Growth & Design
- 出版年：2017
- 出版时间：February 1, 2017
- 年：2017
- 卷：17
- 期：2
- 页码：827-833
- 全文大小：573K
- ISSN：1528-7505
文摘
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.