Data for An NMR crystallography investigation of furosemide

This paper presents an NMR crystallography study of three polymorphs of furosemide. Experimental magic-angle spinning (MAS) solid-state NMR spectra are reported for formI of furosemide, and these are assigned using DFT-based GIPAWcalculations. Focusing on the three known polymorphs we examine the changes to theNMRparameters due to crystal packing effects.We use a recently developed formalism to visualise which regions are responsible for the chemical shielding of particular sites, and hence understand the variation inNMRparameters between the three polymorphs.