NMR Crystallography as a Vital Tool in Assisting Crystal Structure Determination from Powder XRD Data

Abstract

Powder X-ray diffraction (XRD) and solid-state NMR spectroscopy are complementary techniques for investigating the structural properties of solids, and there are considerable opportunities and advantages to applying these techniques synergistically together in determining the structural properties of crystalline solids. This article provides an overview of the potential to exploit structural information derived from solid-state NMR data to assist and enhance the process of crystal structure determination from powder XRD data, focusing in particular on the structure determination of organic molecular materials.

Keywords

• powder X-ray diffraction
• solid-state NMR spectroscopy
• structure determination
• electron diffraction
• organic materials
• NMR Crystallography