The crystal and molecular structure of (±)-3-methoxy-B-nor-9β-estra-1,3,5(10)-trien-17-one

Abstract

The compound (+)-3-methoxy-B-nor-9p-estra-l,3,5(10)-trien-17-one, a synthetic, modified estrogen, crystallizes in space group P21/c with a=8.792 (3), b=5.760 (3), c=28.84 (4) A, /3=94.31 (7) °, and Z=4. Data were obtained about two different axes on a two-circle diffractometer. The structure was solved by direct methods and refined by block-diagonal least-squares calculations to an R value of 0.060 for 1783 observed reflections. As a result of the unnatural eis B-C ring junction the molecular skeleton IS bent, with the C-D part approximately 60 ° out of the plane of the A and B rings.