X-ray Structure Analysis of 3β-Hydroxy-4-(1,4-oxazin-4-yl)-androstane (C31H54NO2)

The crystal structure of 3 beta-hydroxy-4-(1,4-oxazin-4-yl)-androstane (C31H54NO2) has been determined by X-ray crystallographic techniques. The compound crystallizes in the orthorhombic space group P2(1)2(1)2 with the following unit-cell parameters: a = 7.124(1) angstrom, b = 10.127(1) angstrom, c = 40.660(1) angstrom, V = 2933.4(1) angstrom(3) and Z = 4. The structure has been solved by direct methods and refined to an R factor of 0.067. Three six-membered rings, A, C, and E, exist in the chair conformation, while the ring B adopts a distorted half-chair conformation. The five-membered ring, D, has a distorted envelope conformation. The crystal structure is stabilized by strong intermolecular O-H center dot center dot center dot O hydrogen bonds.