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Furosemide’s One Little Hydrogen Atom: NMR Crystallography Structure Verification of Powdered Molecular Organics

Widdifield, Cory M.; Robson, Harry; Hodgkinson, Paul

Furosemide’s One Little Hydrogen Atom: NMR Crystallography Structure Verification of Powdered Molecular Organics Thumbnail


Authors

Cory M. Widdifield

Harry Robson



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.

Citation

Widdifield, C. M., Robson, H., & Hodgkinson, P. (2016). Furosemide’s One Little Hydrogen Atom: NMR Crystallography Structure Verification of Powdered Molecular Organics. Chemical Communications, 52(40), 6685-6688. https://doi.org/10.1039/c6cc02171a

Journal Article Type Article
Acceptance Date Apr 18, 2016
Online Publication Date Apr 26, 2016
Publication Date May 18, 2016
Deposit Date Apr 18, 2016
Publicly Available Date Mar 29, 2024
Journal Chemical Communications
Print ISSN 1359-7345
Electronic ISSN 1364-548X
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 52
Issue 40
Pages 6685-6688
DOI https://doi.org/10.1039/c6cc02171a

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