Abstract
The title compound, 3β-hydroxy-17-oximinoandrost-5-ene monohydrate, C19H29NO2·H2O, crystallizes in the monoclinic space group P21 with unit-cell parameters: a = 11.632(3)Å, b = 6.255(2)Å, c = 12.155(3)Å, β = 100.488(4)°, Z = 2. The structure was refined to a final R-value of 0.0549 for 3421 observed reflections. Rings A and C of the compound are in a chair conformation whereas ring B is in a half-chair conformation. Ring D is intermediate between a half chair and an envelope conformation. The A/B ring junction is quasi-trans, while ring junctions B/C and C/D are trans fused about the C8-C9 and C13-C14 bonds, respectively. The twist along the length of the steroid nucleus is -12.5°. O-H…O hydrogen bonds connect the steroid molecules via water solvent, forming dimers. Further, O-H…O intermolecular hydrogen bonds link the dimers to form dimer chains. The dimer chains are packed together to form layers.
