Crystal structures of tetrakis-(4-chlorophenylthio)-butatriene and tetrakis-(tert-butylthio)-butatriene

Abstract

Tetrakis-(4-chlorophenylthio)-butatriene (3a) and tetrakis-(tert-butylthio)-butatriene (3b) were synthesized, and their crystal structures were determined. The compound 3a is monoclinic, space group P2(1)/c, a = 6.9785(8), b = 8.6803(9), c = 22.884(2) angstrom, beta = 93.887(6)degrees, V = 1383.0(3) angstrom(3), Z = 2. The compound 3b is monoclinic, space group P2(1)/n, a = 11.0615(6), b = 10.8507(4), c = 11.2717(6) angstrom, beta = 116.427(2)degrees, V = 1211.5(1) angstrom(3), Z = 4. The title compounds 3a and 3b reside on an inversion center so that only half of the molecule is crystallographically unique. Both compounds are not planar. The crystal structures of 3a and 3b have cumulated double bonds. The C7-C8-C8(i) and C5-C6-C6(i) angles that show the linearity in both structures, respectively, are 176.4(3)degrees in 3a and 175.6(2)degrees in 3b.