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Structure of tetrazole steroid analogues, IV: Structure of 7a-aza-B-homocholest-5-eno [7a, 7-d]tetrazol-3β-yl-acetate (HS503)

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Abstract

The crystal and molecular structure of the steroidal tetrazole 7a-aza-B-homocholest-5-eno[7a,7-d]tetrazol-3β-yl acetate (C29H46N4O2) has been determined by vector verification, and refined to a finalR of 0.087 for 3454 observed reflections. The compound crystallizes in space groupP21 with cell dimensionsa=7.352(3),b=25.950(8),c=15.408(6) Å,β=91.22(3)°;Z=4,D x=1.33 g cm−3, μ(CuKα)=4.87 cm−1. The two independent molecules exhibit similar overall topography, ringsA, B, C, andD adopting chair, butterfly (Husainet al., 1981), sofa, and distorted envelope conformations respectively in both molecules.

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Authors and Affiliations

  1. Department of Crystallography, Birkbeck College, Malet Street, WC1E 7HX, London, UK

    Tapan K. Chattopadhayay, John N. Lisgarten & Rex A. Palmer

  2. Department of Pharmaceutical Sciences, Panjab University, 16004, Chandigarh, India

    Harkishan Singh & Ravinder K. Malhotra

Authors
  1. Tapan K. Chattopadhayay
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  2. John N. Lisgarten
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  3. Rex A. Palmer
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  4. Harkishan Singh
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  5. Ravinder K. Malhotra
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Steroids and Related Studies, Part 74.

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Chattopadhayay, T.K., Lisgarten, J.N., Palmer, R.A. et al. Structure of tetrazole steroid analogues, IV: Structure of 7a-aza-B-homocholest-5-eno [7a, 7-d]tetrazol-3β-yl-acetate (HS503). Journal of Crystallographic and Spectroscopic Research 17, 51–69 (1987). https://doi.org/10.1007/BF01181959

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