6-Iodo-2-methyl-1,3-benzothia-zole.

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, HR-10000 Zagreb, Croatia.

Published: February 2011

The title compound, C(8)H(6)INS, is essentially planar, the largest deviation from the mean plane being for the I atom [0.075 (3) Å]. The crystal structure is mainly stabilized by inter-molecular C-I⋯N halogen bonds, forming zigzag supra-molecular chains in [10]. Relatively short off-set π-π contacts [centroid-centroid distance = 3.758 (2) Å] between the thia-zole rings of inversion-related mol-ecules link neighbouring chains and provide the secondary inter-actions for building the crystal structure.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051962PMC
http://dx.doi.org/10.1107/S1600536811004570DOI Listing

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