Crystal and molecular structure of syn-2,11-dithia-9,18-dimethyl[3,3]metacyclophane

Abstract

The crystal and molecular structure of the title compound (I) has been determined from three-dimensional X-ray data collected by counter techniques. The two rings do not lie directly above one another and are tilted so that the minimum C ⋯ C interaction between them is 3·28(1) and the maximum 3·76(1)Å. The C—C bond distances within the phenyl rings range from 1·35(1) to 1·41(1)Å, the mean value for the twelve phenyl C—C bonds being 1·38(1)Å. The mean value of the four S—C bond distances is 1·78(2)Å. There is a partial disorder (20%) associated with one of the sulphur atoms. Crystal data: a= 15·514(5), b= 12·141(6), c= 8·649(4)Å, β= 109·88(3)°, space group P2₁/n, Z= 4. The structure was refined by least-squares techniques to R 7·1% for 849 reflections.