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Khan, Nawaz F and Manivel, P and Prabakaran, K and Hathwar, Venkatesha R and Akkurt, Mehmet (2010) 3-(4-Chlorophenyl)-5-phenyl-1,2,4-triazolo[3,4-a]isoquinoline. In: Acta Crystallographica Section E, 66 (Part 5). O1094-U255.

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In the title molecule, C22H14ClN3, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.033 (2) angstrom and a maximum departure from the mean plane of 0.062 (1) angstrom for the triazole ring C atom, bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.02 (6) and 62.16 (6)degrees, respectively, to the mean plane of the triazoloisoquinoline ring system. The molecule is stabilized by a weak intramolecular pi-pi interaction [centroid-centroid distance = 3.7089 (10) angstrom] between the benzene and phenyl rings. In the crystal structure, weak intermolecular C-H center dot center dot center dot N hydrogen bonds and C-H center dot center dot center dot pi interactions link the molecules.

Item Type: Journal Article
Publication: Acta Crystallographica Section E
Publisher: International Union of Crystallography
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 26 May 2010 10:17
Last Modified: 19 Sep 2010 06:07
URI: http://eprints.iisc.ac.in/id/eprint/28074

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