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An NMR crystallography investigation of furosemide

Abstract:

This paper presents an NMR crystallography study of three polymorphs of furosemide. Experimental magic-angle spinning (MAS) solid-state NMR spectra are reported for form I of furosemide, and these are assigned using density-functional theory (DFT)-based gauge-including projector augmented wave (GIPAW) calculations. Focusing on the three known polymorphs, we examine the changes to the NMR parameters due to crystal packing effects. We use a recently developed formalism to visualise which region...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's Version

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Publisher copy:
10.1002/mrc.4789

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ORCID:
0000-0001-9640-8139
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Institution:
University of Oxford
Division:
MPLS Division
Department:
Materials
Oxford college:
St Edmund Hall
ORCID:
0000-0002-1896-0101
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ORCID:
0000-0003-2069-8496
Publisher:
Wiley Publisher's website
Journal:
Magnetic Resonance in Chemistry Journal website
Volume:
57
Issue:
5
Pages:
191-199
Publication date:
2018-10-11
Acceptance date:
2018-08-06
DOI:
EISSN:
1097-458X
ISSN:
0749-1581
Pubs id:
pubs:935904
URN:
uri:5e4021fd-18dd-4b53-b9fb-56009869fe63
UUID:
uuid:5e4021fd-18dd-4b53-b9fb-56009869fe63
Local pid:
pubs:935904
Language:
English
Keywords:

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