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Molecules 2009, 14(10), 4266-4274; doi:10.3390/molecules14104266
Article

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

1,*  and 2
1 Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan 2 Department of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama 226-8502, Japan
* Author to whom correspondence should be addressed.
Received: 27 August 2009 / Revised: 21 October 2009 / Accepted: 23 October 2009 / Published: 23 October 2009
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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.
Keywords: tetrathiafulvalene; 1,2,5-thiadiazole; intermolecular S···S heteroatom interaction; one-dimensional molecular tape structure tetrathiafulvalene; 1,2,5-thiadiazole; intermolecular S···S heteroatom interaction; one-dimensional molecular tape structure
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Tomura, M.; Yamashita, Y. An Unsymmetrical Tetrathiafulvalene with a Fused 1,2,5-Thiadiazole Ring and Methylthio Groups. Molecules 2009, 14, 4266-4274.

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