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

ABSTRACT: 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.

SUBMITTER: Dakovic M

PROVIDER: S-EPMC3051962 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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

Daković Marijana M Cičak Helena H

Acta crystallographica. Section E, Structure reports online 20110212 Pt 3

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 struc ...[more]

PMID: 21522376

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