X-ray structure analysis of 3β-hydroxy-4-(1,4-oxazin-4-yl)-androstane (C31H54NO2)

The crystal structure of 3β-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 P2₁2₁2 with the following unit-cell parameters: a = 7.124(1) Å, b = 10.127(1) Å, c = 40.660(1) Å, V = 2933.4(1) ų, 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...O hydrogen bonds.