3β-Chloro-6-[2-(2-cyano-acet-yl)hydrazin-1-yl-idene]-5α-cholestane

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1056-7. doi: 10.1107/S1600536812009336. Epub 2012 Mar 14.

Abstract

The asymmetric unit of the title compound, C(30)H(48)ClN(3)O, contains two mol-ecules, A and B. In both mol-ecules, the three cyclo-hexane rings in the steroid fused ring systems adopt chair conformations, while the cyclo-pentane rings adopt envelope and twist conformations in mol-ecules A and B, respectively. In mol-ecule B, the cyano group is disordered over two orientations with refined site-occupancies of 0.593 (8) and 0.407 (8). An intra-molecular C-H⋯N inter-action forms an S(10) ring in both mol-ecules. In the crystal, mol-ecules are linked by N-H⋯O, C-H⋯O and C-H⋯N inter-actions, resulting is chains propagating along the a-axis direction.