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Khan, F Nawaz and Manivel, P and Prabakaran, K and Hathwar, Venkatesha R and Ng, Seik Weng (2010) 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline. In: Acta Crystallographica Section E, 66 (Part 2). O488-U3600.

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In the title molecule, C20H13N3S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 angstrom and a maximum deviation of 0.090 (2) angstrom from the mean plane for the triazole ring C atom which is bonded to the thiophene ring. The phenyl ring is twisted by 52.0 (1)degrees with respect to the mean plane of the triazoloisoquinoline ring system. The thiophene ring is rotationally disordered by approximately 180 degrees over two sites, the ratio of refined occupancies being 0.73 (1): 0.27 (1).

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: 05 Mar 2010 09:13
Last Modified: 19 Sep 2010 05:55
URI: http://eprints.iisc.ac.in/id/eprint/25819

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