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2,2'-{2-[(E)-3-Phenylprop-2-enyl]-2,3-dihydro-1H-isoindol-1,3-diylidene}dimalononitrile, a π-deficient system for π...π (1:1) stacking investigations

Crean, Colm and Gallagher, John F. and Pratt, Albert C. (2001) 2,2'-{2-[(E)-3-Phenylprop-2-enyl]-2,3-dihydro-1H-isoindol-1,3-diylidene}dimalononitrile, a π-deficient system for π...π (1:1) stacking investigations. Acta Crystallographica Section E, 57 (3). pp. 236-238. ISSN 1600-5368

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Abstract

The title compound, C₂₃H₁₃N₅, derived from cinnamyl alcohol and 2,2'-(isoindolin-1,3-diylidene)bispropanedinitrile, is a heterocyclic TCNQ analogue of interest as an electron-deficient component in charge-transfer complexes. A small perturbation of the four C-C≡N angles from linearity is observed, which are in the range 173.41 (18)-176.3 (2)°; the C≡N bond lengths are in the range 1.144 (2)-1.146 (2) Å. The terminal phenyl group is oriented at an angle of 77.17 (6)° to the C₄N ring and the C=C bond is short, 1.319 (2) Å. There are no classical hydrogen bonds, although intramolecular C-H...N and intermolecular C-H...π(arene) interactions influence the crystal-structure packing.

Item Type:Article (Published)
Refereed:Yes
Subjects:Physical Sciences > Organic chemistry
Physical Sciences > Chemistry
Physical Sciences > Crystallography
DCU Faculties and Centres:DCU Faculties and Schools > Faculty of Science and Health > School of Chemical Sciences
Publisher:International Union of Crystallography
Official URL:http://dx.doi.org/10.1107/S1600536801002598
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:154
Deposited On:21 Jan 2008 by DORAS Administrator. Last Modified 02 Feb 2009 11:47

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