| Literature DB >> 27115483 |
Cory M Widdifield1, Harry Robson1, Paul Hodgkinson1.
Abstract
The potential of NMR crystallography to verify molecular crystal structures deposited in structural databases is evaluated, with two structures of the pharmaceutical furosemide serving as examples. While the structures differ in the placement of one H atom, using this approach, we verify one of the structures in the Cambridge Structural Database using quantitative tools, while establishing that the other structure does not meet the verification criteria.Entities:
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Year: 2016 PMID: 27115483 DOI: 10.1039/c6cc02171a
Source DB: PubMed Journal: Chem Commun (Camb) ISSN: 1359-7345 Impact factor: 6.222