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(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

(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
(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
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.
0108-2701
o245-o248
Quiroga, Jairo
9025c5e8-ebbe-48ce-abc3-3f15a57b5636
Trilleras, Jorge
a3c91652-eaca-49bc-9e90-02548e3523e4
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Cobo, Justo
a9afc19a-e99b-4907-9d36-fe90d811c7c8
Glidewell, Christopher
22bd41d9-cebf-4ea7-b110-45d73aa2e4a2
Quiroga, Jairo
9025c5e8-ebbe-48ce-abc3-3f15a57b5636
Trilleras, Jorge
a3c91652-eaca-49bc-9e90-02548e3523e4
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Cobo, Justo
a9afc19a-e99b-4907-9d36-fe90d811c7c8
Glidewell, Christopher
22bd41d9-cebf-4ea7-b110-45d73aa2e4a2

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)

Record type: Article

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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More information

Published date: May 2010
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow, Chemistry

Identifiers

Local EPrints ID: 347442
URI: http://eprints.soton.ac.uk/id/eprint/347442
ISSN: 0108-2701
PURE UUID: eb5f61e2-993e-4d9d-b39e-ba8a5d9b8c85

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Date deposited: 01 Feb 2013 15:16
Last modified: 16 Jul 2019 21:45

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