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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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 |
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. |
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