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 3月 2018
Accepted
20 4月 2018
First published
21 4月 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

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements