Research Article: 3β-Chloro-5α-cholestan-6-one

Date Published: April 01, 2012

Publisher: International Union of Crystallography

Author(s): Samina Khan Yusufzai, Hasnah Osman, Aisyah Saad Abdul Rahim, Suhana Arshad, Ibrahim Abdul Razak.


The asymmetric unit of the title compound, C27H45ClO, consists of two crystallographically independent mol­ecules. In both mol­ecules, the three cyclo­hexane rings in the steroid fused-ring systems adopt chair conformations, while the cyclo­pentane ring adopts a half-chair conformation in one mol­ecule and an envelope conformation in the other. In the crystal, the mol­ecules are linked into a two-dimensional network by weak C—H⋯O hydrogen bonds. The crystal studied is a nonmerohedral twin with a refined ratio of twin components of 0.264 (3):0.736 (3).

Partial Text

For a crystallographic comparison of cholesterols, see: Rajnikant et al. (2006 ▶). For the biological activity of steroidal derivatives, see: Pluempe & Pulls (1971 ▶); Sawhney et al. (1975 ▶); Yonova & Stoilkova (2004 ▶). For related structures, see: Yusufzai et al. (2012 ▶); Ketuly et al. (2011 ▶). For ring conformations, see: Cremer & Pople (1975 ▶). For the synthesis, see: Windaus & Dalmer (1919 ▶). For the stability of the temperature controller used for data collection, see: Cosier & Glazer (1986 ▶).