Crystal-structure of 1,3,5(10)-estratriene-1,17 Beta-diol 17-acetate

Oxidative hydrolysis of N-methyl-1beta,5-epoxyimino-19-nor-5beta-androst-3-en-17beta-ol acetate 1 afforded the title compound 2, the molecular structure of which was determined by the X-ray diffraction technique. 2 : C20H26O3, Mr=314.42, orthorhombic, P2(1)2(1)2(1), a=9.636(3), b=11.307(5), c=16.099(5)angstrom, V=1754(1)angstrom3, Z=4, Dx=1.19g.cm-3, MoKalpha, lambda=0.71069angstrom, mu=0.84cm-1, F(000)=680, T=291K, R=0.060 for 1211 observed reflections. Ring A is slightly non planar, ring B is a half-chair and ring C a chair. The 5-membered ring D has a regular half-chair conformation.