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

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.

SUBMITTER: Yusufzai SK

PROVIDER: S-EPMC3344016 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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

Yusufzai Samina Khan SK Osman Hasnah H Abdul Rahim Aisyah Saad AS Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20120314 Pt 4

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 b ...[more]

PMID: 22589925

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