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The molecular conformation of Ibuprofen, C 13 H 18 O 2 , through X-ray diffuse scattering

Goossens, Darren; Heerdegen, Aidan; Welberry, Thomas; Beasley, Andrew


A study of the three-dimensional distribution of the X-ray diffuse scattering from the pharmaceutical Ibuprofen (2-(4-isobutylphenyl)propionic acid, C13H18O2) has been undertaken. The most important aspects of the molecular flexibility have been isolated, as have key correlations between variables within a single molecule. Hence, aspects of the conformational space of the molecule within a crystalline environment have been outlined. For example the correlations between torsional twists on...[Show more]

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
Source: International Journal of Pharmaceutics
DOI: 10.1016/j.ijpharm.2007.04.023


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