Cory M. Widdifield
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 | 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 |
Files
Published Journal Article (Advance online version)
(1.8 Mb)
PDF
Publisher Licence URL
http://creativecommons.org/licenses/by/4.0/
Copyright Statement
Advance online version This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Published Journal Article (Final published version)
(1.8 Mb)
PDF
Publisher Licence URL
http://creativecommons.org/licenses/by/4.0/
Copyright Statement
Final published version
You might also like
Revisiting the Van Vleck second moment for characterizing molecular motion in organic solids
(2023)
Journal Article
Structured ternary fluids as nanocrystal incubators for enhanced crystallization control
(2022)
Journal Article
Resolving alternative structure determinations of indapamide using 13C solid-state NMR
(2022)
Journal Article
Downloadable Citations
About Durham Research Online (DRO)
Administrator e-mail: dro.admin@durham.ac.uk
This application uses the following open-source libraries:
SheetJS Community Edition
Apache License Version 2.0 (http://www.apache.org/licenses/)
PDF.js
Apache License Version 2.0 (http://www.apache.org/licenses/)
Font Awesome
SIL OFL 1.1 (http://scripts.sil.org/OFL)
MIT License (http://opensource.org/licenses/mit-license.html)
CC BY 3.0 ( http://creativecommons.org/licenses/by/3.0/)
Powered by Worktribe © 2024
Advanced Search