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Thermal Behavior of Benzoic Acid/Isonicotinamide Binary Cocrystals

Buanz, Asma; Prior, Timothy J.; Burley, Jonathan C.; Raimi-Abraham, Bahijja Tolulope; Telford, Richard; Hart, Michael; Seaton, Colin C.; Davies, Philip J.; Scowen, Ian J.; Gaisford, Simon; Williams, Gareth R.

Authors

Asma Buanz

Jonathan C. Burley

Bahijja Tolulope Raimi-Abraham

Richard Telford

Michael Hart

Colin C. Seaton

Philip J. Davies

Ian J. Scowen

Simon Gaisford

Gareth R. Williams



Abstract

© 2015 American Chemical Society. A comprehensive study of the thermal behavior of the 1:1 and 2:1 benzoic acid/isonicotinamide cocrystals is reported. The 1:1 material shows a simple unit cell expansion followed by melting upon heating. The 2:1 crystal exhibits more complex behavior. Its unit cell first expands upon heating, as a result of C-H⋯π interactions being lengthened. It then is converted into the 1:1 crystal, as demonstrated by significant changes in its X-ray diffraction pattern. The loss of 1 equiv of benzoic acid is confirmed by thermogravimetric analysis-mass spectrometry. Hot stage microscopy confirms that, as intuitively expected, the transformation begins at the crystal surface. The temperature at which conversion occurs is highly dependent on the sample mass and geometry, being reduced when the sample is under a gas flow or has a greater exposed surface area but increased when the heating rate is elevated. (Figure Presented).

Journal Article Type Article
Publication Date Jul 1, 2015
Journal Crystal growth & design
Print ISSN 1528-7483
Electronic ISSN 1528-7505
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 15
Issue 7
Pages 3249-3256
APA6 Citation Buanz, A., Prior, T. J., Burley, J. C., Raimi-Abraham, B. T., Telford, R., Hart, M., …Williams, G. R. (2015). Thermal Behavior of Benzoic Acid/Isonicotinamide Binary Cocrystals. Crystal growth & design, 15(7), 3249-3256. https://doi.org/10.1021/acs.cgd.5b00351
DOI https://doi.org/10.1021/acs.cgd.5b00351
Publisher URL https://pubs.acs.org/doi/10.1021/acs.cgd.5b00351
Additional Information This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal growth & design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see 10.1021/acs.cgd.5b00351

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