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Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism

Rajbongshi, Basanta Kumar and Nair, Nisanth N and Nethaji, M and Ramanathan, Gurunath (2012) Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism. In: Crystal Growth & Design, 12 (4). pp. 1823-1829.

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Official URL: http://pubs.acs.org/doi/abs/10.1021/cg201313g

Abstract

An analogue of the green fluorescent protein (GFP) luminophore crystallizes from a methanol solution impregnated with dichloromethane, into a pair of chiral crystals. Thermal analysis, fluorescence emission studies, and crystal packing analysis show that the two crystals are different materials. The two polymorphs arise from the rotation of a monosubstituted benzene ring about a C-N bond which results in the formation of two strong bifurcated C-H center dot center dot center dot O intermolecular bonds to oxygen O(6). The color difference has been ascribed to a difference in the packing of the two crystal forms. Theoretical studies supported by low temperature NMR show low kinetic energy barriers (similar to 10 kJ mol(-1)) separating the asymmetric units of the two crystal structures, suggesting that the driving force for the polymorphism could be the result of packing of two different asymmetric units.

Item Type: Journal Article
Additional Information: Copyright of this article is belongs to American Chemical Society.
Keywords: GREEN FLUORESCENT PROTEIN;CRYSTAL-STRUCTURES;4,4-DIPHENYL-2,5-CYCLOHEXADIENONE
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 14 Aug 2012 05:37
Last Modified: 14 Aug 2012 05:41
URI: http://eprints.iisc.ernet.in/id/eprint/44496

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