A 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study

A 1:2 co-crystal of 2,2′-dithiodibenzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study

The asymmetric unit of the title 1:2 co-crystal, C14H10O4S2·2C7H6O2, comprises half a molecule of dithiodibenzoic acid [systematic name: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid, DTBA], as the molecule is located about a twofold axis of symmetry, and a molecule of benzoic acid (BA). The DTBA mole...

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Bibliographic Details
Main Authors: Sang Loon Tan, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2019-01-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
dithiodibenzoic acid
benzoic acid
hydrogen bonding
computational chemistry
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018017097

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http://scripts.iucr.org/cgi-bin/paper?S2056989018017097

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