Issue 40, 2016

Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organics

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.

Graphical abstract: Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organics

Supplementary files

Article information

Article type
Communication
Submitted
11 mrt 2016
Accepted
18 apr 2016
First published
26 apr 2016
This article is Open Access
Creative Commons BY license

Chem. Commun., 2016,52, 6685-6688

Author version available

Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organics

C. M. Widdifield, H. Robson and P. Hodgkinson, Chem. Commun., 2016, 52, 6685 DOI: 10.1039/C6CC02171A

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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