Abstract
The crystal structure of the title compound, C16H26N4O6S2·2H2O, a water-soluble di-N-heterocyclic carbene ligand precursor was determined using a single crystal grown by the slow cooling of a hot N,N-di-methyl-formamide solution of the compound. The dihydrate crystallizes in the monoclinic space group P21/c, with half of the zwitterionic mol-ecule and one water mol-ecule of crystallization in the asymmetric unit. The remaining part of the mol-ecule is completed by inversion symmetry. In the mol-ecule, the imidazole ring planes are parallel with a plane-to-plane distance of 2.741 (2) Å. The supra-molecular network is consolidated by hydrogen bonds of medium strength between the zwitterionic mol-ecules and the water mol-ecules of crystallization, as well as by π-π stacking inter-actions between the imidazole rings of neighbouring mol-ecules and C-H⋯O hydrogen-bonding inter-actions.
Highlights
Imidazolium salt-based ionic liquids are versatile because of their unique properties and their use as green solvents, replacing volatile or toxic organic solvents (De et al, 2019)
The di-N-heterocyclic carbene precursor 1 crystallizes as a dihydrate, with one half of the molecule and one water molecule of crystallization being present in the asymmetric unit
The other half of the molecule is generated by the application of inversion symmetry
Summary
Imidazolium salt-based ionic liquids are versatile because of their unique properties and their use as green solvents, replacing volatile or toxic organic solvents (De et al, 2019). They are very often used as reaction media, or – the water-immiscible ones – for extraction. Compound 1 is known from the literature (Liu et al, 2013; Xu et al, 2012; Zeng et al, 2013) and was prepared according to the method described by Papini et al (2009), utilizing the reaction between 1,10-(butane-1,4-diyl)di-1H-imidazole and 1,3-propanesultone (Fig. 1)
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