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ABSTRACT:
SUBMITTER: Panchamukhi SI
PROVIDER: S-EPMC3099952 | biostudies-literature | 2011 Apr
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20110305 Pt 4
In the title compound, C(17)H(14)N(4)S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclo-hexane ring adopts a half-chair conformation. In the crystal, pairs of inter-molecular C-H⋯N hydrogen bonds form centrosymmetric head-to-head dimers, corresponding to an R(2) (2)(8) graph-set motif. Further C-H⋯N inter-actions gen ...[more]