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Issue 15, 1972
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Crystal and molecular structure of 17α-hydroxyandrost-4-en-3-one (epitestosterone)

Abstract

Crystals of the title steroid are orthorhombic, a= 11·423(1), b= 20·151(1), c= 7·003(1)Å, Z= 4, space group P212121. The structure has been determined by direct methods from diffractometer data and refined by full-matrix least-squares to a final R of 0·058 for 1646 reflections. All the ring junctions are trans/trans. The conformation of ring A is half-chair while that of rings B and C is chair. The cyclopentane ring D is a slightly distorted half-chair. The molecules are linked in the crystal structure ‘head-to-tail’ by a hydrogen bond between the C(17) hydroxy-group and the C(3) keto-group.

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Article type: Paper
DOI: 10.1039/P29720002335
J. Chem. Soc., Perkin Trans. 2, 1972, 2335-2339

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    Crystal and molecular structure of 17α-hydroxyandrost-4-en-3-one (epitestosterone)

    N. W. Isaacs, W. D. S. Motherwell, J. C. Coppola and O. Kennard, J. Chem. Soc., Perkin Trans. 2, 1972, 2335
    DOI: 10.1039/P29720002335

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