Conformations of Bridged Diphenyls. IX. Crystal Structure of 2-(4′-Carbomethoxy-2′-nitrothiophenyl)-1,3,5-trimethylbenzene

Abstract

The structure of 2-(4′-carbomethoxy-2′-nitrothiophenyl)-1,3,5-trimethylbenzene, C17H17-NO4S, has been determined by X-ray diffraction. The crystals are monoclinic, a = 18.616(15), b = 5.739(8), c = 15.712(14) Å, β = 101.97(3)°, P21/c with Z = 4. The intensities of 3820 independent reflections were measured on a four circle diffractometer; 2825 reflections were used in the refinement of the structure to give a final least-squares weighted residual of 0.059 and a traditional R factor of 0.054. The presence of electron-withdrawing groups on one of the phenyl rings increases the conjugation between the ring and the sulfur atom in a similar manner as that observed in diphenyl ethers. The mesityl ring is nearly orthogonal to the C—S—C plane.