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Expanding the Solid-State Landscape ofl-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes

Williams, Philip Andrew, Hughes, Colan Evan, Buanz, Asma B. M., Gaisford, Simon and Harris, Kenneth David Maclean 2013. Expanding the Solid-State Landscape ofl-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes. The Journal of Physical Chemistry C 117 (23) , pp. 12136-12145. 10.1021/jp401547f

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Abstract

To date, only one crystal structure of l-phenylalanine has been reported, with no confirmed report of polymorphism of this material. In the present work, we report the discovery of a new polymorph of l-phenylalanine, with the structural properties determined directly from powder X-ray diffraction data. The new polymorph of l-phenylalanine is stable only under rigorously dry conditions. In addition, two new solid hydrate phases of l-phenylalanine have been discovered: a monohydrate and a hemihydrate. The hemihydrate is susceptible to partial water deficiency. The crystal structures of the monohydrate and hemihydrate phases have also been determined directly from powder X-ray diffraction data. On the basis of results from dynamic vapor sorption and other experiments, we demonstrate that the three new solid forms are readily interconvertible as a function of relative humidity.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Advanced Research Computing @ Cardiff (ARCCA)
Chemistry
Subjects: Q Science > QD Chemistry
Publisher: ACS Publications
ISSN: 1932-7447
Last Modified: 08 May 2019 02:27
URI: http://orca.cf.ac.uk/id/eprint/48219

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