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    Thermal Behavior of Benzoic Acid/Isonicotinamide Binary Cocrystals

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    Publication date
    2015-05-26
    Author
    Buanz, A.B.M.
    Prior, T.J.
    Burley, J.C.
    Raimi-Abraham, B.T.
    Telford, Richard
    Hart, M.
    Seaton, Colin C.
    Davies, P.J.
    Scowen, Ian J.
    Gaisford, S.
    Williams, G.R.
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    Keyword
    Benzoic acid; Ionicotinamide Binary Cocrystals; Thermal behaviour
    Rights
    (c) 2015 American Chemical Society. Full-text reproduced in accordance with the publisher's self-archiving policy.
    Peer-Reviewed
    Yes
    
    Metadata
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    Abstract
    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.
    URI
    http://hdl.handle.net/10454/8724
    Version
    Accepted Manuscript
    Citation
    Buanz ABM, Prior TJ, Burley JC, Raimi-Abraham BT, Telford R et al (2015) Thermal Behavior of Benzoic Acid/lsonicotinamide Binary Cocrystals. Crystal Growth & Design. 15(7): 3249-3256.
    Link to publisher’s version
    http://dx.doi.org/10.1021/acs.cgd.5b00351
    Type
    Article
    Collections
    Life Sciences Publications

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