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

Jasinski, Jerry P. and Butcher, Ray J. and Hakim Al-arique, Q. N. M. and Yathirajan, H. S. and Narayana, B. (2010) Redetermination of 5α-androstane-3,17-dione. Acta Crystallographica Section E, 66 (6). O1517-O1518. ISSN ESSN: 1600-5368

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The structure of the title compound, C\sb 19H\sb 28O\sb 2, has been redermined at 295(2)K, with much improved precision. The structure and mol\-ecular packing of the title compound was first reported by Coiro \it et al. {\it Acta Cryst}. (1973). B{\bf 29}, 1404{--}1409 by means of potential-energy calculations. The cell parameters in this study differ considerably in space group {\it C}2. It is a derivative of testosterone and consists of a cyclo{\-}penta{\-}none ring ({\it A}) fused to to successive cyclo{\-}hexane ({\it B} and {\it C}) and cyclo{\-}hexa{\-}none ({\it D}) rings. The three cyclo{\-}hexa{\-}none rings are in slightly distorted boat configurations and the cyclo{\-}penta{\-}none ring is a distorted half-chair. The crystal packing is stabilized by weak inter{\-}molecular C{---}H{$\cdots$}O inter{\-}actions involving O atoms from each of the cyclo{\-}hexa{\-}none and cyclo{\-}penta{\-}none rings and H atoms from each of their respective rings.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: LA manjunath user
Date Deposited: 09 Jul 2019 11:33
Last Modified: 09 Jul 2019 11:33

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