Crystal and molecular structure of the monothioketal of 2,4-diphenyl-3-azabicyclo[3.3.1] nonan-9-one

Abstract

The solid state conformation of the monothioketal of azabicyclic ketone has been elucidated using single crystal X-ray diffraction methods. The study reveals that the title molecule consists of two six-membered rings fused together in chair-chair conformation and a five membered spiro 1,3-oxathiolane ring in envelope conformation. In the 3-azabicyclononane

ring system, the equatorial dispositions of the phenyl groups and the orientations of the oxygen and sulphur atoms in axial and equatorial positions, respectively, are confirmed. The molecular conformation in the solid state is identical to that in solution previously proposed on the basis of spectroscopic studies.