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3-Methyl-6-trichloro-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

ABSTRACT: In the crystal structure of the title compound, C(5)H(3)Cl(3)N(4)S, two mol-ecules related by a centre of symmetry demonstrate extremely short inter-molecular S?N contacts of 2.783?(2)?Å. The crystal packing also exhibits ?-? inter-actions indicated by a short distance of 3.340?(1)?Å between the centroids of the triazole rings of neighbouring mol-ecules.

SUBMITTER: Jia WM

PROVIDER: S-EPMC3089198 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

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3-Methyl-6-trichloro-methyl-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Jia Wei-Min WM Wang Zhi-Jian ZJ Jia Xiao-Yu XY Zhang Jing-Jing JJ Wang Wei W

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

In the crystal structure of the title compound, C(5)H(3)Cl(3)N(4)S, two mol-ecules related by a centre of symmetry demonstrate extremely short inter-molecular S⋯N contacts of 2.783 (2) Å. The crystal packing also exhibits π-π inter-actions indicated by a short distance of 3.340 (1) Å between the centroids of the triazole rings of neighbouring mol-ecules. ...[more]

PMID: 21754413

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