Issue 14, 1973

Crystal and molecular structure of 17β-hydroxyandrost-4-en-3-one (testosterone)

Abstract

Anhydrous testosterone is monoclinic, space group P21, a= 14·720(3), b= 11·080(2), c= 10·868(2)Å, β= 113·34(1)°, Z= 4. The structure was solved from diffractometer data by direct methods and refined to R 0·038 for 2498 observed (of a total of 2749) reflexions. The two independent molecules in the asymmetric unit have significantly different conformations. This finding is discussed in conjunction with results from studies on epitestosterone and two hydrated forms of testosterone in terms of the relationships between molecular structure and biological activity.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1973, 1978-1984

Crystal and molecular structure of 17β-hydroxyandrost-4-en-3-one (testosterone)

P. J. Roberts, R. C. Pettersen, G. M. Sheldrick, N. W. Isaacs and O. Kennard, J. Chem. Soc., Perkin Trans. 2, 1973, 1978 DOI: 10.1039/P29730001978

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