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Resolving alternative structure determinations of indapamide using 13C solid-state NMR​

Evans, Caitlin L.; Evans, Ivana R.; Hodgkinson, Paul

Resolving alternative structure determinations of indapamide using 13C solid-state NMR​ Thumbnail


Authors

Caitlin L. Evans

Ivana R. Evans



Abstract

The conflict between alternative crystal structures in the Cambridge Structural Database for the diuretic drug indapamide hemihydrate (IND) has been resolved with the aid of 13C solid-state NMR. IND is seen to contain multiple distinct molecules in the asymmetric unit (Z′ = 4) rather than exhibiting disorder in the orientation of sulfonamide groups. The NMR crystallographic approach is a more effective tool for distinguishing between alternative structures than naïve judgements of quality based on crystallographic refinement agreement factors.

Citation

Evans, C. L., Evans, I. R., & Hodgkinson, P. (2022). Resolving alternative structure determinations of indapamide using 13C solid-state NMR​. Chemical Communications, 58(30), 4767-4770. https://doi.org/10.1039/d1cc06256e

Journal Article Type Article
Acceptance Date Mar 21, 2022
Online Publication Date Mar 28, 2022
Publication Date Apr 18, 2022
Deposit Date Mar 22, 2022
Publicly Available Date Apr 21, 2022
Journal Chemical Communications
Print ISSN 1359-7345
Electronic ISSN 1364-548X
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 58
Issue 30
Pages 4767-4770
DOI https://doi.org/10.1039/d1cc06256e

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