alexa A new polymorph of 5-fluorouracil found following computational crystal structure predictions.
Chemical Engineering

Chemical Engineering

Journal of Chromatography & Separation Techniques

Author(s): Hulme AT, Price SL, Tocher DA

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Abstract A new polymorph of 5-fluorouracil has been obtained following a manual polymorph screen inspired by a computational crystal structure prediction search. It corresponds to the structure that was predicted to be the global minimum in lattice energy. The difficulty of crystallizing this simple structure with a rational hydrogen-bonding motif can be rationalized from the differential solvation of the functional groups. This article was published in J Am Chem Soc and referenced in Journal of Chromatography & Separation Techniques

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