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 ORCID: https://orcid.org/0000-0001-7855-8598 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:	24 Oct 2022 11:28
URI:	https://orca.cardiff.ac.uk/id/eprint/48219

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