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

Authors :
Li-Rong Wen
Huai-Yuan Xie
Shu-Wen Wang
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