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Issue 20, 2018
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Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe

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Abstract

The landscape of β-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 β-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–H⋯F hydrogen bonds in the solid solutions.

Graphical abstract: Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe

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Article information


Submitted
02 Mar 2018
Accepted
20 Apr 2018
First published
21 Apr 2018

CrystEngComm, 2018,20, 2793-2805
Article type
Paper

Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe

S. Chakraborty and G. R. Desiraju, CrystEngComm, 2018, 20, 2793
DOI: 10.1039/C8CE00336J

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