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Khan, Nawaz F and Manivel, P and Prabakaran, K and Hathwar, Venkatesha R and Akkurt, Mehmet (2010) 4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin--yl)benzonitrile. In: Acta Crystallographica Section E, 66 (Part 5). O1081-U128.

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In the title molecule, C23H14N4, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.038 (2) angstrom and a maximum deviation of -0.030 (2) angstrom from the mean plane of the triazole ring C atom which is bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.65 (8) and 53.60 (9)degrees, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, molecules are linked by weak aromatic pi-pi interactions [centroid-centroid distance = 3.8074 (12) angstrom]. In addition, the crystal structure exhibits a nonclassical intermolecular C-H center dot center dot center dot N hydrogen bond.

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 10:13
Last Modified: 19 Sep 2010 06:07
URI: http://eprints.iisc.ac.in/id/eprint/28073

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