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The structure of 20 oximo-5α-pregnano-16-eno[3,4-C]-1′,2′,5′-oxadiazole (HS976)

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Abstract

The crystal and the molecular structure of the steroidal oxadiazole 20-oximo-5α-pregnano-16-eno[3,4-C]-1′,2′,5′-oxadiazole (C21H28N2O3) has been determined by direct methods, and refined to a finalR of 0.086 for 3100 observed reflections. The compound crystallizes in space groupP21, with cell dimensionsa=18.284(6),b=13.992(4),c=7.370(3)Å,β=96.97(3)°;V=1885 Å3,Z=4,D x =1.27 g cm−3, λ=1.5418 Å, μ(CuK α =5.95 cm−1. The two independent molecules are related by a pseudo twofold axis. Both molecules exhibit similar overall topography, rings A, B, C, and D adopting distorted sofa, chair, chair, and distorted envelope conformations, respectively.

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Authors and Affiliations

  1. Department of Crystallography, Birkbeck College, University of London, Malet Street, WCIE 7HX, London, England

    David Lisgarten & Rex Palmer

  2. Department of Ultrastructure, Instituut voor Molekulaire Biologie, Vrije Universiteit Brussel, Paardenstraat 65, B-1640, Sint-Genesius Rode, Belgium

    Dominique Maes & John Lisgarten

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  1. David Lisgarten
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  2. Rex Palmer
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  3. Dominique Maes
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  4. John Lisgarten
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Lisgarten, D., Palmer, R., Maes, D. et al. The structure of 20 oximo-5α-pregnano-16-eno[3,4-C]-1′,2′,5′-oxadiazole (HS976). Journal of Crystallographic and Spectroscopic Research 23, 359–366 (1993). https://doi.org/10.1007/BF01159136

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  • DOI: https://doi.org/10.1007/BF01159136

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