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dc.contributor.authorBerry, David J.*
dc.contributor.authorSeaton, Colin C.*
dc.contributor.authorClegg, W.*
dc.contributor.authorHarrington, R.W.*
dc.contributor.authorColes, S.J.*
dc.contributor.authorHorton, P.N.*
dc.contributor.authorHursthouse, M.B.*
dc.contributor.authorStorey, Richard*
dc.contributor.authorJones, W.*
dc.contributor.authorFriščić, T.*
dc.contributor.authorBlagden, Nicholas*
dc.date.accessioned2011-03-22T16:27:33Z
dc.date.available2011-03-22T16:27:33Z
dc.date.issued2008-05
dc.identifier.citationBerry, D. J., Seaton, C. C., Clegg, W., Harrington, R. W., Coles, S. J., Horton, P. N., Hursthouse, M. B., Storey, R., Jones, W., Friščić, T. and Blagden, N. (2008). Applying hot-stage microscopy to co-crystal screening: A study of nicotinamide with seven active pharmaceutical ingredients. Crystal growth & design, Vol. 8, No. 5, pp. 1697-1712.en_US
dc.identifier.urihttp://hdl.handle.net/10454/4846
dc.descriptionnoen_US
dc.description.abstractCo-crystal screening is routinely undertaken using high-throughput solution growth. We report a low- to medium throughput approach, encompassing both a melt and solution crystallization step as a route to the identification of co-crystals. Prior to solution studies, a melt growth step was included utilizing the Kofler mixed fusion method. This method allowed elucidation of the thermodynamic landscape within the binary phase diagram and was found to increase overall screening efficiency. The pharmaceutically acceptable adduct nicotinamide was selected and screened against a small set of active pharmaceutical ingredients (APIs) (ibuprofen (both the racemic compound (R/S) and S-enantiomer), fenbufen, flurbiprofen (R/S), ketoprofen (R/S), paracetamol, piracetam, and salicylic acid) as part of a larger systematic study of synthon stability. From the screen, three new co-crystal systems have been identified (ibuprofen (R/S and S) and salicylic acid) and their crystal structures determined. Because of poor crystal growth synchrotron radiation was required for structure solution of the S-ibuprofen nicotinamide co-crystal. Two further potential systems have also been discovered (fenbufen and flurbiprofen), but crystals suitable for structure determination have yet to be obtained. A greater ability to control crystallization kinetics is required to yield phase-pure single-crystalline material for full verification of this crystal engineering strategy.en_US
dc.language.isoenen_US
dc.relation.isreferencedbyhttp://dx.doi.org/10.1021/cg800035wen_US
dc.subjectCo-crystal screeningen_US
dc.subjectSolution crystallizationen_US
dc.subjectMelt crystallizationen_US
dc.subjectCrystal engineeringen_US
dc.subjectNicotinamideen_US
dc.titleApplying hot-stage microscopy to co-crystal screening: A study of nicotinamide with seven active pharmaceutical ingredients.en_US
dc.status.refereedYesen_US
dc.typeArticleen_US


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