Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

organic compounds

Acta Cryst. (2013). E69, o698    [ doi:10.1107/S1600536813009537 ]


P. Starha and Z. Trávnícek

Abstract: The title compound, C13H11N3S, crystallizes with two independent mol­ecules in the asymmetric unit. The two mol­ecules are geometrically very similar and differ mainly in a spatial orientation of the benzene and thieno[3,2-d]pyrimidine ring systems [dihedral angles = 69.49 (4) and 79.05 (3)°]. The nine-membered thieno[3,2-d]pyrimidine moieties have a planar conformation (r.m.s. deviations = 0.020 and 0.012 Å). In the crystal, mol­ecules are linked through N-H...N, N-H...C and C-H...[pi] non-covalent contacts into chains along the c axis, while neighbouring chains are connected via C-H...N inter­actions.

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