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

ABSTRACT: 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)?Å 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)?Å] with a nearly linear N?Cl-C angle [174.2?(1)°] link the mol-ecules into a two-dimensional assembly. Face-to-face ?-? stacking, with a centroid-centroid separation of 3.557?(2)?Å and an angle of 7.1?(1)° between the two planes, completes the inter-molecular inter-actions in the solid state.

SUBMITTER: Wen LR

PROVIDER: S-EPMC2977792 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

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