2-Chloro-N-{5-[(4R,5R,10S)-dehydro-abiet-4-yl]-1,3,4-thia-diazol-2-yl}benzamide

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o816-7. doi: 10.1107/S1600536811007665. Epub 2011 Mar 9.

Abstract

There are two independent mol-ecules in the asymmetric unit of the title compound, C(28)H(32)ClN(3)OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa-hydro-phenanthren-1-yl]-1,3,4-thia-diazol-2-yl}benzamide). In each mol-ecule, the cyclo-hexyl ring attached to the thia-diazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via C-H⋯π inter-actions.