Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



hb7045 scheme

Acta Cryst. (2013). E69, o434    [ doi:10.1107/S1600536813004881 ]

2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione

R. Al-Salahi, M. Marzouk, M. A. Al-Omar, A. E.-G. E. Amr, S. W. Ng and E. R. T. Tiekink

Abstract: In the title compound, C10H8N4S2, comprising fused six-, six- and five-membered rings, the molecule is close to being planar (r.m.s. deviation of the non-H atoms = 0.041 Å). The S-bound methyl group is folded away from the single N atom of the triazole ring and the NH group of the six-membered ring, allowing for the formation of centrosymmetric eight-membered {...HNCN}2 synthons in the crystal. The resulting inversion dimers are connected into supramolecular stacks aligned along the b-axis direction by [pi]-[pi] interactions [centroid-centroid distances = 3.6531 (12) and 3.7182 (12) Å].


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