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

The structure of the title compound, C(19)H(28)O(2), 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...

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Detalles Bibliográficos
Autores principales: Jasinski, Jerry P., Butcher, Ray J., Hakim Al-arique, Q. N. M., Yathirajan, H. S., Narayana, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979654/
https://www.ncbi.nlm.nih.gov/pubmed/21579576
http://dx.doi.org/10.1107/S1600536810019720
Descripción
Sumario:The structure of the title compound, C(19)H(28)O(2), 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.

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