Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

organic compounds

Acta Cryst. (2013). E69, o697    [ doi:10.1107/S1600536813009501 ]


M. M. Al-Shehri, A. A. El-Emam, N. R. El-Brollosy, S. W. Ng and E. R. T. Tiekink

Abstract: In the title compound, C13H11N3S2, the triazole and thio­phene rings are coplanar [dihedral angle = 6.22 (13)°]. By contrast, the phenyl ring is perpendicular to the triazole ring [dihedral angle = 85.58 (13)°], so that the mol­ecule has an L-shape. The thio­phene S atom is syn with the ring imine N atom. In the crystal, eight-membered {...HNCS}2 synthons form between centrosymmetrically related mol­ecules, leading to dimeric aggregates that are connected into a supra­molecular layer parallel to (101) by [pi]-[pi] inter­actions between centrosymmetrically related triazole rings [centroid-centroid distance = 3.6091 (15) Å] and C-H...[pi] inter­actions.

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