Redetermination of 5α-androstane-3,17-dione

• Main Authors: Jerry P. Jasinski, Ray J. Butcher, Q. N. M. Hakim Al-arique, H. S. Yathirajan, B. Narayana
• Format: Article
• Language: English
• Published: International Union of Crystallography 2010-06-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536810019720

The structure of the title compound, C19H28O2, has been redermined at 295 (2) K, with much improved precision. The structure and molecular packing of the title compound was first reported by Coiro et al. [Acta Cryst. (1973). B29, 1404–1409] by means of potential-energy calculations. The cell parameters in this study differ considerably in space group C2. It is a derivative of testosterone and consists of a cyclopentanone ring (A) fused to to successive cyclohexane (B and C) and cyclohexanone (D) rings. The three cyclohexanone rings are in slightly distorted boat configurations and the cyclopentanone ring is a distorted half-chair. The crystal packing is stabilized by weak intermolecular C—H...O interactions involving O atoms from each of the cyclohexanone and cyclopentanone rings and H atoms from each of their respective rings.