Resolving Alternative Structure Determinations of Indapamide Using 13C Solid-State NMR [dataset]
收藏DataCite Commons2022-03-23 更新2024-07-13 收录
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http://collections.durham.ac.uk/files/r2df65v796t
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资源简介：
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.
提供机构：
Durham University
创建时间：
2022-03-23
