Received 3 April 2013
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-HN, N-HC and C-H non-covalent contacts into chains along the c axis, while neighbouring chains are connected via C-HN interactions.
Data collection: CrysAlis PRO (Agilent, 2012); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2011); software used to prepare material for publication: publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK5215 ).
This work was supported by Palacký University (grant No. PrF_2013_015). The authors wish to thank Dr Igor Popa for performing NMR experiments and Mr Tomás Silha for performing CHN elemental analysis.
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