CRYSTAL STRUCTURE OF CHLORINE COMPLEX OF BIS(P-CHLOROPHENYL) SULFIDE

The crystal structure of a chlorine complex of bis(p-chlorophenyl) sulfide was determined from single-crystal Weissenberg and precession X-ray diffraction patterns from a crystal maintained at 143˚K. The cell dimensions at that temperature are a = 12.876 ± 0.003 Å, b = 7.795 ± 0.002 Å, c = 13.794 ± 0.004 Å, β = 111.02 ± 0.03˚, space group P21/c; four molecules of (ClC6H4)2SCl2 per cell give a calculated density of 1.796 g/cm3. Visual estimates of the 1213 observed reflections were fitted by least-squares methods to give an R of 0.11. The structure of the complex may be described as a trigonal bipyramid about sulfur with the p-chlorophenyl groups and an unshared pair of electrons occupying the equatorial plane (C-S-C bond angle = 109˚), and the Cl atoms occupying axial positions at 2.26 and 2.32 Å. The trigonal-bipyramid groups align themselves into long chains with the Cl-Cl distances between groups being 3.31 Å. The intermolecular interactions are nearly linear (Cl-S-Cl· · ·Cl-S-Cl· · · CI· · · Cl-S angle is 162˚). The configuration of the complex fits logically into the series of observed group VI-group VII complexes. © 1969, American Chemical Society. All rights reserved.