Combining forces: complementary techniques brought together to determine tricky crystal structures. Issue 3 (8th June 2020)

• Record Type: Journal Article
• Authors: Day, Graeme M.
• Is Part Of: Acta crystallographica. Volume 76:Issue 3(2020:Jun.)
• Page Start: 294
• Page End: 295
• Publication Date: 2020-06-08
• Subjects: complementary techniques -- NMR crystallography -- crystal structure prediction -- crystal structure determination -- furazidin -- polymorphism
• DOI: 10.1107/S2052520620007283
• Languages: English
• ISSNs: 2052-5206

Abstract

Abstract : Dudek and coworkers [ Acta Cryst . (2020), B76, 322–335] report an integrated X‐ray powder diffraction, NMR crystallography and crystal structure prediction study to determine crystal structures that could not have been determined using a single method. This is an important example that nicely illustrates the process of combining techniques and demonstrates the importance of careful validation. Abstract : Dudek and coworkers [ Acta Cryst . (2020), B76, 322–335] report an integrated X‐ray powder diffraction, NMR crystallography and crystal structure prediction study to determine crystal structures that could not have been determined using a single method. This is an important example that nicely illustrates the process of combining techniques and demonstrates the importance of careful validation.