An Unsymmetrical Tetrathiafulvalene with a Fused 1,2,5-Thiadiazole Ring and Methylthio Groups

Abstract

The title compound, 5-(4,5-dimethylthio-1,3-dithiol-2-ylidene)-1,3-diaza-2,4,6-trithiapentalene (4,5-dimethylthio [1,2,5]thiadiazolotetrathiafulvalene, molecular formula C8H6N2S7) crystallizes in the P21/n space group with one molecule in the asymmetric unit. The molecular framework is planar within 0.19 Å. The molecules form a head-to-tail type of π-stacking dimer with an interplanar distance is 3.50(1) Å, where methylthio groups face away from each other. The molecules are also linked by weak intermolecular S***S heteroatom interactions [3.497(1) and 3.572(1) Å] to construct a unique one-dimensional molecular tape structure.