Widdifield, C.M., Robson, H. and Hodgkinson, P. (2016) Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organics. Chemical Communications, 52 (40). pp. 6685-6688. ISSN 1359-7345
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © The Royal Society of Chemistry 2016. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (https://creativecommons.org/licenses/by/3.0/). |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 26 Oct 2016 14:53 |
Last Modified: | 26 Oct 2016 14:53 |
Published Version: | http://dx.doi.org/10.1039/C6CC02171A |
Status: | Published |
Publisher: | Royal Society of Chemistry |
Refereed: | Yes |
Identification Number: | 10.1039/C6CC02171A |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:106472 |