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

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) A] 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.