Comparative-study of the 2 Polymorphic Forms of P(1r,3s) 3-thioanisoyl-1,2,2-trimethylcyclopentane Carboxylic-acid

Rambaud, J.;Declercq, Jean-Paul;Bouassab, A.;Pauvert, B.;Terol, A.;et.al.
(1993) Journal of Pharmaceutical Sciences — Vol. 82, n° 12, p. 1262-1265 (1993)

Files

No attached file found for this publication.

Details

Authors
  • Rambaud, J.
    Author
  • Declercq, Jean-PaulUCLouvain
    Author
  • Bouassab, A.
    Author
  • Pauvert, B.
    Author
  • Terol, A.
    Author
Show more
Abstract
The crystal structure of polymorph I of p(1R,3S)3-thioanisoyl-1,2,2-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-O 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) Angstrom] leading to the formation of a dimer around the twofold axis following x with a shift on z. The different conformations on the carboxylic group between the two polymorphs are in good agreement with the thermodynamic study.
Affiliations

Citations

Rambaud, J., Declercq, J.-P., Bouassab, A., Pauvert, B., Chevallet, P., & Terol, A. (1993). Comparative-study of the 2 Polymorphic Forms of P(1r,3s) 3-thioanisoyl-1,2,2-trimethylcyclopentane Carboxylic-acid. Journal of Pharmaceutical Sciences, 82(12), 1262-1265. https://doi.org/10.1002/jps.2600821216 (Original work published 1993)