17α-Hydroxy-17-methylandrost-4-ene-17-one is a complex of two steroid molecules with water and its crystal structure has been determined by X-ray crystallographic techniques. The transparent plate-like crystals of this compound crystallized in the orthorhombic space group P212121, with unit cell parameters: a = 6.382(2), b = 12.841(5), c = 43.350(2) Å, λ(Mo Kα) = 0.71073 Å, Z = 8. The structure has been solved by direct methods and refined to R = 0.047, wR = 0.086. There are two crystallographically independent molecules, I and II, in the asymmetric unit. In both the molecules, rings A and D adopt a distorted half-chair conformation while rings B and C exist in chair conformation. The crystal structure is stabilized by intermolecular O−H⋯O and C−H⋯O hydrogen bonds.
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The corresponding author (Rajnikant) is thankful to the UGC, New Delhi for the financial support under its DRS research project.
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CCDC-217672 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge at http://www.ccdc.cam.an.uk/uk/conts/retrieving.html or from the Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge CB2 1EZ, United Kingdom; Fax: +44(O) 1223-336033; e-mail: deposit@ccdc.cam.ac.uk.
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Verma, R., Jasrotia, D. & Bhat, M. Synthesis and X-ray crystallographic analysis of 17α-hydroxy-17-methylandrost-4-ene-17-one. J Chem Crystallogr 36, 283–287 (2006). https://doi.org/10.1007/s10870-005-9058-0
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DOI: https://doi.org/10.1007/s10870-005-9058-0