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7-(2,4-Dichloro­phen­yl)-2-methyl­sulfanyl­pyrazolo[1,5-a]pyrimidine-3-carbonitrile

In the mol­ecule 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 methyl­sulfanyl group is anti­periplanar, with a torsion angle of −1...

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Detalles Bibliográficos
Autores principales: Wen, Li-rong, Xie, Huai-yuan, Wang, Shu-wen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977792/
https://www.ncbi.nlm.nih.gov/pubmed/21583928
http://dx.doi.org/10.1107/S1600536809014792
Descripción
Sumario:In the mol­ecule 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 methyl­sulfanyl group is anti­periplanar, with a torsion angle of −176.7 (2)°. A weak inter­molecular 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 mol­ecules into a two-dimensional assembly. Face-to-face π–π stacking, with a centroid–centroid separation of 3.557 (2) Å and an angle of 7.1 (1)° between the two planes, completes the inter­molecular inter­actions in the solid state.