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7-(2,4-Dichlorophenyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
- Source :
- Acta Crystallographica Section E, Vol 65, Iss 5, Pp o1116-o1116 (2009), Acta Crystallographica Section E: Structure Reports
- Publication Year :
- 2009
- Publisher :
- International Union of Crystallography, 2009.
-
Abstract
- In the molecule of the title compound, C14H8Cl2N4S, 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.
Details
- Language :
- English
- ISSN :
- 16005368
- Volume :
- 65
- Issue :
- 5
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section E
- Accession number :
- edsair.doi.dedup.....a81371b46d8ed8acbc0afced595f50ef