Crystal and molecular structure of 4-(thio-p-toluoyl)-5-p-tolyl-1,2-dithiole-3-thione

Abstract

X-Ray crystal-structure analysis confirms that the 4-thioacyl-1,2-dithiole-3-thione molecule (with two p-tolyl substituents) is not symmetric. One pair of sulphur atoms is single-bonded and the other pair is not bonded. The conformation of the molecule is discussed. Crystals are monoclinic, a= 7.398(7), b= 13.802(10), c= 17.021 (14)Å, β= 93.57(1)°, space group P2₁/c with Z= 4. By use of 2478 significant reflections the structure was solved by direct methods and refined to R 0.067.