Research Article: 3β-Acet­oxy-5α-cholestan-6-one 2-cyano­acetyl­hydrazone

Date Published: February 01, 2012

Publisher: International Union of Crystallography

Author(s): Samina Khan Yusufzai, Hasnah Osman, Othman Sulaiman, Suhana Arshad, Ibrahim Abdul Razak.


The asymmetric unit of the title compound, C32H51N3O3, consists of two crystallographically independent mol­ecules, A and B; the 2-methyl­pentane group of mol­ecule A and the propane group of mol­ecule B are each disordered over two sets of sites, with refined site-occupancies of 0.825 (5):0.175 (5) and 0.630 (18):0.370 (18), respectively. In both mol­ecules, the three cyclo­hexane rings in the steroid fused ring systems adopt chair conformations while the cyclo­pentane rings adopt envelope and twist conformations in mol­ecules A and B, respectively. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the two independent mol­ecules together, generating R21(7) and R22(8) ring motifs.

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For the biological activity of steroidal derivatives, see: Khan & Yusuf (2009 ▶); Drach et al. (2000 ▶); Gupta et al. (1995 ▶); Ahmed & Boruah (1996 ▶); Short & Long (1969 ▶); Khan et al. (2007 ▶); Doorenbos & Wu (1968 ▶); Banday et al. (2010 ▶). For ring conformations, see: Cremer & Pople (1975 ▶). For bond-length data, see: Allen et al. (1987 ▶). For related structures, see: Khan et al. (2011 ▶); Ketuly et al. (2011 ▶). For hydrogen-bond motifs, see: Bernstein et al. (1995 ▶). For stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).