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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; Gallagher, John F.; Pratt, Albert C.
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.
Keyword(s): Organic chemistry; Chemistry; Crystallography
Publication Date:
2001
Type: Other
Peer-Reviewed: Unknown
Language(s): English
Institution: Dublin City University
Citation(s): Crean, Colm, Gallagher, John F. ORCID: 0000-0003-4130-4556 <https://orcid.org/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
Publisher(s): International Union of Crystallography
File Format(s): application/pdf
Related Link(s): http://doras.dcu.ie/154/1/acta_crys_e_57_3.pdf,
http://dx.doi.org/10.1107/S1600536801002598
First Indexed: 2009-11-05 02:00:19 Last Updated: 2019-02-09 07:05:22