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Issue 40, 2016
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Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organics

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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

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Publication details

The article was received on 11 Mar 2016, accepted on 18 Apr 2016 and first published on 26 Apr 2016


Article type: Communication
DOI: 10.1039/C6CC02171A
Citation: Chem. Commun., 2016,52, 6685-6688
  • Open access: Creative Commons BY license
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    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

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