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2,2'-[2,3-Dihydro-2-(prop-2-enyl)-1H-isoindole-1,3-diylidene]bis(propanedinitrile)-tetrathiafulvalene (1/1), TCPI-TTF

Crean, Colm and Gallagher, John F. and Pratt, Albert C. (2002) 2,2'-[2,3-Dihydro-2-(prop-2-enyl)-1H-isoindole-1,3-diylidene]bis(propanedinitrile)-tetrathiafulvalene (1/1), TCPI-TTF. Acta Crystallographica Section C, 58 (1). pp. 36-38. ISSN 0108-2701

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The title complex, C17H9N5•C6H4S4, contains -deficient bis(dinitrile) and TTF molecules stacked alternately in columns along the a-axis direction; the interplanar angle between the TTF molecule and the isoindolinyl C4N[C(CN)2]2 moiety is 1.21 (4)°. The N-allyl moiety in the TCPI molecule is oriented at an angle of 87.10 (10)° with respect to the five-membered C4N ring, and the four C N bond lengths range from 1.134 (3) to 1.142 (3) Å, with C-C N angles in the range 174.3 (3)-176.9 (2)°. In the TTF system, the S-C bond lengths are 1.726 (3)-1.740 (3) and 1.751 (2)-1.763 (2) Å for the external S-C(H) and internal S-C(S) bonds, respectively.

Item Type:Article (Published)
Subjects: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:
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:22
Deposited On:05 Oct 2007 by DORAS Administrator. Last Modified 29 Jan 2009 16:51

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