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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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 |
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Publication: | CRYSTENGCOMM |
Publisher: | ROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND |
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 |
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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