Conformational flexibility in androgenic steroids - the structure of a new form of (+)-17-beta-hydroxy-19-nor-4-androsten-3-one (19-nortestosterone), c18h26o2

Bhadbhade, Mohan M and Vennkatesan, K (1984) Conformational flexibility in androgenic steroids - the structure of a new form of (+)-17-beta-hydroxy-19-nor-4-androsten-3-one (19-nortestosterone), c18h26o2. In: Acta crystallographica section c-crystal structure communications, 40 . pp. 1905-1908.

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Abstract

The structure and conformation of a second crystalline modification of 19-nortestosterone has been determined by X-ray methods. M r = 274, monoclinic P2 l, a=9.755(2), b= 11.467(3), c= 14.196(3)/L fl=101.07(2) ° , V=1558.4 (8) A 3, Z=4, Ox= I. 168 g cm -3, Mo Ka, 2 = 0.7107 ,/k, ~ = 0.80 cm -l, F(000) = 600, T= 300 K. R = 0.060 for 2158 observed reflections. The two molecules in the asymmetric unit show significant differences in the A-ring conformation from that of the previously reported form of the title compound [Precigoux, Busetta, Courseille & Hospital (1975). Acta Cryst. B31, 1527-1532]. The l a,2fl-half-chair conformation of the A ring increases its conformational freedom compared with testosterone.

Item Type:	Journal Article
Publication:	Acta crystallographica section c-crystal structure communications
Publisher:	International Union of Crystallography
Additional Information:	Copyright of this article belongs toInternational Union of Crystallography.
Department/Centre:	Division of Chemical Sciences > Organic Chemistry
Date Deposited:	29 May 2009 09:36
Last Modified:	19 Sep 2010 05:31
URI:	http://eprints.iisc.ac.in/id/eprint/20072

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