Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals

Hall, Amy V.; Yufit, Dmitry S.; Zhang, Yingfeng; Musa, Osama M.; Steed, Jonathan W.

doi:10.1080/10610278.2022.2117623

Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals

Hall, Amy V.; Yufit, Dmitry S.; Zhang, Yingfeng; Musa, Osama M.; Steed, Jonathan W.

Authors

Dr Amy Hall amy.v.hall@durham.ac.uk
Leverhulme Early Career Fellow

Dr Dmitry Yufit d.s.yufit@durham.ac.uk
Academic Visitor

Yingfeng Zhang

Osama M. Musa

Professor Jonathan Steed jon.steed@durham.ac.uk
Professor

Abstract

Cocrystallisation of butanoic acid (BA), pentanoic acid (PA), and eicosanoic acid (EA) with 4,4’-azopyridine (azp) and trans-1,2-bis(4-pyridyl)ethylene (bpe) results in 2:1 lamellar cocrystals. All cocrystals display the OH···Npyridyl seven-membered ring supramolecular synthon however, each cocrystal responds differently upon heating. Positive thermal expansion (PTE) occurs along the c-axis due to π···π stacking in the isostructural BA cocrystals, while the PA cocrystals are not isostructural and display a mixture of anti and gauche conformations of the acid chains because of the length mismatch with the coformer. PA2·azp displays negative thermal expansion (NTE) of the intrasynthon C···O hydrogen bond. The two EA cocrystals both display c-axis elongation on warming due to the expansion of the distance between the alkyl chains. The expansion by more than 1 Å in EA2·azp is highly anisotropic, however, there is much less c-axis expansion in EA2·bpe.

Citation

Hall, A. V., Yufit, D. S., Zhang, Y., Musa, O. M., & Steed, J. W. (2021). Anisotropic thermal expansion effects in layered n-Alkyl carboxylic acid – bipyridyl cocrystals. Supramolecular Chemistry, 33(10), https://doi.org/10.1080/10610278.2022.2117623

Journal Article Type	Article
Acceptance Date	Aug 22, 2022
Online Publication Date	Sep 5, 2022
Publication Date	2021
Deposit Date	Nov 14, 2022
Publicly Available Date	Nov 14, 2022
Journal	Supramolecular Chemistry
Print ISSN	1061-0278
Electronic ISSN	1029-0478
Publisher	Taylor and Francis Group
Peer Reviewed	Peer Reviewed
Volume	33
Issue	10
DOI	https://doi.org/10.1080/10610278.2022.2117623

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