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Comparative study of the two polymorphic forms of p-(1 R, 3S) 3-thioanisoyl-1, 2,2-trimethylcyclopentane carboxylic acid

✍ Scribed by Joelle Rambaud; Abderahman Bouassab; Bernard Pauvert; Pierre Chevallet; Jean-Paul Declercq; Alain Terol

Publisher: John Wiley and Sons
Year: 1993
Tongue: English
Weight: 391 KB
Volume: 82
Category: Article
ISSN: 0022-3549
DOI: 10.1002/jps.2600821216

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✦ Synopsis

The crystal structure of polymorph I of p ( 1 R,3S)3thioanisoyl-l,2,2-trimethylcyclopentane carboxylic acid has been determined and is compared with that of polymorph II that was previously described. Polymorph I is very different at the level of the carboxyl group. It does not present disorder and the values found for the C-0 bonds correspond exactly to single and double bond lengths. In addition, the carboxyl groups of the two molecules in the cell packing are involved in symmetric hydrogen bonds [2.662(6) 4 leading to the formation of a dimer around the twofold axis following x with a shift on I. The different conformations on the carboxylic group between the two polymorphs are in good agreement with the thermodynamic study.

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