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16-(4-Cyanobenzylidene)-3 beta-pyrrolidinoandrost-5-en-17 beta-ol monohydrate.

作者信息

Hema R, Parthasarathi V, Thamotharan S, Dubey S, Jindal D P

机构信息

Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, India.

出版信息

Acta Crystallogr C. 2002 Jul;58(Pt 7):o421-2. doi: 10.1107/s0108270102009319. Epub 2002 Jun 20.

Abstract

In the title compound, C(31)H(40)N(2)O x H(2)O, the outer two six-membered rings are in chair conformations, while the central ring is in an 8 beta,9 alpha-half-chair conformation. The five-membered ring adopts a 13 beta-envelope conformation and the cyanobenzylidene moiety has an E configuration with respect to the hydroxyl group at position 17. The steroid nuclei are linked by intermolecular O[bond]H...O and O[bond]H...N hydrogen bonds to form a molecular network. The molecular packing has an interesting feature, with the steroids aligned parallel to the b axis, forming a closed loop through hydrogen bonds linked via water molecules.

摘要

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