(E)-N2-{4-[(E)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl}-N1,N1-dimethylformamidine: polarized molecules within sheets of ?-stacked hydrogen-bonded chains

Quiroga, Jairo, Trilleras, Jorge, Hursthouse, Michael B., Cobo, Justo and Glidewell, Christopher (2010) (E)-N2-{4-[(E)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl}-N1,N1-dimethylformamidine: polarized molecules within sheets of ?-stacked hydrogen-bonded chains. Acta Crystallographica Section C: Crystal Structure Communications, 66 (5), o245-o248. (doi:10.1107/S0108270110012023). (PMID:20442507)

Abstract

The molecules of the title compound, C22H21ClN4O, are conformationally chiral, and in the space group P2(1)2(1)2(1) each crystal contains only one conformational enantiomer. The intramolecular dimensions provide evidence for polarization of the electronic structure. Molecules are linked by a single C-H center dot center dot center dot pi(arene) hydrogen bond into chains, which are themselves weakly linked into sheets by an aromatic pi-pi stacking interaction.

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