Conformational studies. Part 14. An X-ray analysis of 6α-hydroxy-4,4-dimethylandrostan-3-one

Abstract

Crystals of the title compound are monoclinic, space group P2₁, with two molecules in a cell of dimensions a= 14.555(2), b= 7.899(1), c= 8.084(1)Å, β= 105.71(1)°. The structure was solved by direct methods and refined by full-matrix least-squares calculations; R= 0.036 for 2 603 observed reflections. Ring A has a fully staggered twist-boat conformation intermediate between the C(2)⋯ C(5) and C(3)⋯ C(10) boat conformations, in which all potential non-bonded interactions are simultaneously minimised. This structure is in accordance with previous conclusions using ¹H n.m.r. spectroscopy.