7-(2,4-Dichloro-phen-yl)-2-methyl-sulfanyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

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作者:Wen Li-Rong, Xie Huai-Yuan, Wang Shu-Wen
In the mol-ecule of the title compound, C(14)H(8)Cl(2)N(4)S, all the ring atoms in the pyrazolopyrimidine system are almost coplanar, the largest deviation from the mean plane being 0.027†(2)†à for a C atom. The conformation of the methyl-sulfanyl group is anti-periplanar, with a torsion angle of -176.7†(2)°. A weak inter-molecular C-H⋯N hydrogen bond and a Cl⋯N halogen bond [Cl⋯N = 3.196†(5)†à ] with a nearly linear N⋯Cl-C angle [174.2†(1)°] link the mol-ecules into a two-dimensional assembly. Face-to-face π-π stacking, with a centroid-centroid separation of 3.557†(2)†à and an angle of 7.1†(1)° between the two planes, completes the inter-molecular inter-actions in the solid state.

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