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

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

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: Apr 27, 2016
• 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
• Public URL: https://durham-repository.worktribe.com/output/1384146