Crean, Colm, Gallagher, John F. ORCID: 0000-0003-4130-4556 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
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.
Metadata
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 10 Oct 2018 12:24 |
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