Acta Cryst. (2009). E65, o1507-o1508  [ doi:10.1107/S1600536809020984 ]

N-tert-Butyl-3-hydroxy-5-androstene-17-carboxamide monohydrate

J.-S. Li, J. Simpson, X.-J. Li, X. Li and P.-M. Huang

Abstract: In the title compound, C₂₄H₃₉NO₂·H₂O, the A and C rings of the pregnolene derivative sterol adopt chair conformations, with the B ring in a flattened chair conformation and the five-membered ring in an envelope conformation twisted about the C/D ring junction. The N-tert-butylcarboxamide substituent is equatorial. The 3-hydroxy H atom and one H atom of the water molecule are disordered over two positions with equal occupancies. In the crystal structure, O-HO hydrogen bonds between the 3-hydroxy groups of neighbouring molecules form dimers in the bc plane and these dimers are stacked along the a axis by additional O-HO hydrogen bonds involving the water molecules. The steric effect of the bulky tert-butyl substituent in the carboxamide chain precludes hydrogen-bond formation by the N-H group.

Online 6 June 2009

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