Powder X-ray Diffraction as an Emerging Method to Structurally Characterize Organic Solids

Shyam Karki, Laszlo Fabian, Tomislav Friščić, William Jones

Research output: Contribution to journalArticlepeer-review

94 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)3133-3136
Number of pages4
JournalOrganic Letters
Volume9
Issue number16
DOIs
Publication statusPublished - 13 Jul 2007

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