An unsymmetrical tetrathiafulvalene with a fused 1,2,5-thiadiazole ring and methylthio groups.
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 C(8)H(6)N(2)S(7)) crystallizes in the P2(1)/n space group with one molecule in the asymmetric unit. The molecular framework is planar within 0.19 A. The molecules form a head-to-tail type of pi-stacking dimer with an interplanar distance is 3.50(1) A, 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) A] to construct a unique one-dimensional molecular tape structure.
Tomura
Masaaki
M
Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan. tomura@ims.ac.jp
Yamashita
Yoshiro
Y
D018360:Crystallography, X-Ray; D006571:Heterocyclic Compounds / Q000737:chemistry*; D013440:Sulfides / Q000737:chemistry*; D013830:Thiadiazoles / Q000737:chemistry*
D006571:Heterocyclic Compounds; D013440:Sulfides; D013830:Thiadiazoles; C063887:tetrathiafulvalene