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(2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-on e monohydrate

Sarveswari, S and Vijayakumar, V and Prasath, R and Narasimhamurthy, T and Tiekink, Edward RT (2010) (2E)-3-(4-Ethoxyphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-on e monohydrate. In: Acta Crystallographica Section E, 66 (Part 1). O3284-U1668.

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Official URL: http://scripts.iucr.org/cgi-bin/paper?S16005368100...

Abstract

The title hydrate, C27H23NO2 center dot H2O, features an almost planar quinoline residue (r.m.s. deviation = 0.015 angstrom) with the benzene dihedral angle = 63.80 (7)degrees] and chalcone C-C-C-O torsion angle = -103.38 (18)degrees] substituents twisted significantly out of its plane. The configuration about the C=C bond 1.340 (2) angstrom] is E. In the crystal, molecules related by the 21 symmetry operation are linked along the b axis via water molecules that form O-H center dot center dot center dot O-c and O-H center dot center dot center dot N-q hydrogen bonds (c = carbonyl and q = quinoline). A C-H center dot center dot center dot O interaction also occurs.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Keywords: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.003 A°R factor = 0.050; wR factor = 0.146; data-to-parameter ratio = 17.3.
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Date Deposited: 31 Jan 2011 10:52
Last Modified: 31 Jan 2011 10:52
URI: http://eprints.iisc.ernet.in/id/eprint/35312

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