Issue 20, 2018

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

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

Supplementary files

Article information

Article type
Paper
Submitted
02 Бер 2018
Accepted
20 Кві 2018
First published
21 Кві 2018

CrystEngComm, 2018,20, 2793-2805

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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