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organic compounds
The asymmetric unit of the title compound, 17α-benzyl-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 NO and OO 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 indicates that they have the same geometry in their energy minimum states.
O and intermolecular NO and OO 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 indicates that they have the same geometry in their energy minimum states.Supporting information
 | Crystallographic Information File (CIF) |
CCDC reference: 127098
