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 0.027â (2)â à for a C atom. The conformation of the methyl-sulfanyl group is anti-periplanar, with a torsion angle of -176.7â (2)°. A weak inter-molecular C-Hâ¯N hydrogen bond and a Clâ¯N halogen bond [Clâ¯N = 3.196â (5)â à ] with a nearly linear Nâ¯Cl-C angle [174.2â (1)°] link the mol-ecules into a two-dimensional assembly. Face-to-face Ï-Ï stacking, with a centroid-centroid separation of 3.557â (2)â à and an angle of 7.1â (1)° between the two planes, completes the inter-molecular inter-actions in the solid state.
7-(2,4-Dichloro-phen-yl)-2-methyl-sulfanyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
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作者:Wen Li-Rong, Xie Huai-Yuan, Wang Shu-Wen
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2009 | 起止号: | 2009 Apr 25; 65(Pt 5):o1116 |
| doi: | 10.1107/S1600536809014792 | ||
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