Crystal and molecular structure ofendo-5-acetoxy-4-(p-tolylsulfonyl)methyl-exo-10-oxatricyclo-[5,2,1,02,6]deca-3,8-diene, C19H20O5S

Abstract

The structure of the title compound, C19H20O5S, was determined by X-rays.M r =360.42, monoclinic, space groupP21/c, a=8.517(2),b=31.107(2),c=20.517(4) A,β=96.205(18)°,V c =5403.9 A3,Z=12,D x =1.45 Mg m−3. CuKα radiation (graphite crystal monochromator, λ=1.54178 A),μ(CuKα)=1.777 mm−1,F(000)=2280T=295 K. Final conventionalR-factor=0.058,R w =0.060 for 3476 “observed” reflections and 552 variables. The structure was solved usingMultan andDirdif (direct methods applied to difference structures). The configurations of three crystallographically independent molecules in the asymmetric unit of the crystal are reported.