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Exploring the structural landscape with `partial' fluoro-substitution as a probe

Chakraborty, Shaunak and Desiraju, Gautam R (2018) Exploring the structural landscape with `partial' fluoro-substitution as a probe. In: CRYSTENGCOMM, 20 (20). pp. 2793-2805.

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Official URL: https://dx.doi.org/10.1039/c8ce00336j

Abstract

The landscape of -cinnamic acid is explored by an extension of the previously reported fluorosubstitution protocol. Solid solutions of mono- and difluorocinnamic acids allow for the generation of a large number of experimental data points, which in conjunction with computational crystal structure prediction results can be used to profile the structural landscape of -cinnamic acid. The variation in structure types may be caused by geometrical factors, namely shape-size equivalences, and chemical factors through the intermediacy of weak C-HF hydrogen bonds in the solid solutions.

Item Type: Journal Article
Additional Information: Copy right of this article belong to ROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Depositing User: Id for Latest eprints
Date Deposited: 12 Jun 2018 16:01
Last Modified: 12 Jun 2018 16:01
URI: http://eprints.iisc.ac.in/id/eprint/59998

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