17α-benzyl-17β-hydroxy-16-hydroxyimino-3-methoxyestra-1,3,5(10)- triene

Abstract

The asymmetric unit of the title compound, 17α-benz-yl-16-hydroxyimino - 3 - methoxyestra -1,3,5 (10) - trien-17β-ol, C26H31NO3, contains two molecules which differ in the orientations of the methoxy groups at C(3). The 17-hydroxy and 16-hydroxyimino moieties are involved in intramolecular N⋯O and intermolecular N⋯O and O⋯O hydrogen bonds. The hydrogen-bond network accounts for the differences in bond and torsion angles of the α-hydroxyimino moieties of the symmetry-independent molecules. This has been confirmed by molecular-mechanics calculations on the individual molecules which indicate that they have the same geometry in their energy minimum states.