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

Autor:	Caitlin L. Evans, Ivana Radosavlijević Evans, Paul Hodgkinson
Rok vydání:	2022
Předmět:	Materials Chemistry Metals and Alloys Ceramics and Composites General Chemistry Catalysis Surfaces Coatings and Films Electronic Optical and Magnetic Materials
Zdroj:	Chemical Communications, 2022, Vol.58(30), pp.4767-4770 [Peer Reviewed Journal]
ISSN:	1364-548X 1359-7345
DOI:	10.1039/d1cc06256e
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c97d3cac164ad998f4c7f954e94d35b5 https://doi.org/10.1039/d1cc06256e Zobrazit plný text záznamu