Dataset for: Determination of Inter- and Intra-ionic Interactions in a Monofluorinated Imidazolium Ionic Liquid by a Combination of X-Ray Crystallography and NOE NMR Spectroscopy

We report the very first application of a Transient 1D 1H{19F} NOE NMR experiment in neat ionic liquids. In comparison to classical 2D HOESY NMR spectroscopy,[1,2] a substantial reduction in measurement time is gained with comparable quality and information content of the spectra. In combination with classical X-ray crystallography, we have applied this technique for the determination of inter-ionic distances (i.e. probabilities of presence) utilizing an ionic liquid containing a monofluorinated imidazilium cation.