Title of article :
Crystal structure of zwitterionic 3,3′-[1,1′-(butane-1,4-diyl)bis(1H-imidazol-3-ium-3,1-diyl)]bis(propane-1-sulfonate) dihydrate
Author/Authors :
Udvardy, Antal University of Debrecen - Department of Physical Chemistry, Hungary , Sourav De, Sourav University of Debrecen - Department of Physical Chemistry, Hungary , Gál, Tamás Gyula University of Debrecen - Department of Physical Chemistry, Hungary , Papp,Gábor University of Debrecen - Department of Physical Chemistry, Hungary , Czégéni, Csilla Enikő MTA-DE Redox and Homogeneous Catalytic Reaction Mechanisms Research Group, PHungary , Joó, Ferenc University of Debrecen - Department of Physical Chemistry, Hungary
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-dimethylformamide solution of the compound. The dihydrate crystallizes in the monoclinic space group P21/c, with half of the zwitterionic molecule and one water molecule of crystallization in the asymmetric unit. The remaining part of the molecule is completed by inversion symmetry. In the molecule, the imidazole ring planes are parallel with a plane-to-plane distance of 2.741 (2) Å. The supramolecular network is consolidated by hydrogen bonds of medium strength between the zwitterionic molecules and the water molecules of crystallization, as well as by π–π stacking interactions between the imidazole rings of neighbouring molecules and C—H⋯O hydrogen-bonding interactions.
Keywords :
crystal structure , di-N-heterocyclic carbene precursor , water solubility , hydrogen bonds
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
