Powder X-ray diffraction as an emerging method to structurally characterize organic solids

Karki, Shyam, Fabian, Laszlo, Friščić, Tomislav and Jones, William (2007) Powder X-ray diffraction as an emerging method to structurally characterize organic solids. Organic Letters, 9 (16). pp. 3133-3136. ISSN 1523-7052

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Abstract

The current level of laboratory instrumentation and computational resources allows X-ray powder diffraction to be implemented into the toolbox of organic chemists, providing a means for rapid (i.e., within a day) structural characterization of organic solids, without the need for single crystals. We illustrate such use of powder diffraction using two case studies of molecular cocrystals of trifluoroacetic acid and malonic acid, involving theobromine, a model active pharmaceutical ingredient. We also report on a previously unobserved conformation of malonic acid in the solid state.

Item Type:	Article
Faculty \ School:	Faculty of Science > School of Pharmacy (former - to 2024)
UEA Research Groups:	Faculty of Science > Research Groups > Drug Delivery and Pharmaceutical Materials (former - to 2017) Faculty of Science > Research Groups > Pharmaceutical Materials and Soft Matter
Depositing User:	Rachel Smith
Date Deposited:	15 Mar 2011 15:15
Last Modified:	28 Mar 2025 03:43
URI:	https://ueaeprints.uea.ac.uk/id/eprint/26271
DOI:	10.1021/ol071329t

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