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3-Dibromoacetyl-2H-chromen-2-one

Chopra, D and Venugopala, KN and Rao, GK and Row, TNG (2007) 3-Dibromoacetyl-2H-chromen-2-one. In: Acta Crystallographica Section E Structure Reports Online, 63 (6). p. 2826.

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Official URL: http://journals.iucr.org/e/issues/2007/06/00/sj230...

Abstract

he molecular structure of the title compound, C11H6Br2O3, contains a planar coumarin ring system which makes a dihedral angle of 18.5(1)degrees with the bromoacetyl group. The structure is stabilized by intermolecular C-H center dot center dot center dot O hydrogen bonds and pi-pi aromatic stacking interactions, with centroid centroid distances of 3.567 ( 2) ( symmetry code: -x, -y, -z) and 3.642 ( 2) angstrom ( -x + 1, -y, -z). A short Br center dot center dot center dot Br [3.4605 ( 8) angstrom] contact also stabilizes the crystal structure.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Keywords: single-crystal X-ray study;T = 2930 K;mean _(C–C) = 0.005 A°;R factor = 0.029;wR factor = 0.076;data-to-parameter ratio = 12.8.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 16 Jan 2009 11:47
Last Modified: 19 Sep 2010 04:58
URI: http://eprints.iisc.ernet.in/id/eprint/17676

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