The title compound, CHClN, was synthesized by the cyclization of 1-(4,6-di-methyl-pyrimidin-2-yl)-4-phenyl-thio-semicarbazide in the presence of Ni(NO). The mol-ecular structure of the compound is essentially planar. In the crystal, mol-ecules form dimers pairs of N-H⋯N hydrogen bonds between the H atom of the exocyclic amino group and the N atom at the 4-position of the triazole ring. The resulting dimers are packed into layers which are connected by π-stacking inter-actions between the aromatic systems of the pyrimidine and benzene nuclei, and between the triazole cores.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209766PMC
http://dx.doi.org/10.1107/S2056989016019629DOI Listing

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