Resolving alternative structure determinations of indapamide using < sup > 13 < /sup > C solid-state NMR

Chem Commun (Camb). 2022 Mar 28. doi: 10.1039/d1cc06256e. Online ahead of print.ABSTRACTThe 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.PMID:35343549 | DOI:10.1039/d1cc06256e
Source: Chemical Communications - Category: Chemistry Authors: Source Type: research