Crystal and molecular structure of rac(1R,5S,6S,7R)-1-oxy-7-benzoyl-5-methyl-8-azabicyclo-[4.3.0]nonane-4,9-dione, C16H17NO4 (perhydroindole)

Abstract

The structure of the title compound (perhydroindole) was determined by X-rays, using CuKα radiation (graphite-crystal monochromator,λ=1.54184 A): T=290 K., C16H17NO4,M r =287.31 monoclinic, space groupC2/c,a= 14.471(1),b=6.169(2),c=32.065(2) A,β=92.192(6)V c =2860,6 A3,Z=8,D inx=1.338 Mg m−3, μ(CuKα)=7.54 cm−1. Final conventionalR-factor=0.048, (R w =0.072) for 2513 unique reflections and 258 variables. The structure was solved usingMultan. The six-membered ring of the molecule is in the chair configuration. The molecules are connected by hydrogen bonds.