Crystal structure, optical property and Hirshfeld surface analysis of bis[1-(prop-2-en-1-yl)-1Himidazol-3-ium] hexachloridostannate(IV)

Abstract

A new 0D organic-inorganic hybrid material bis[1-(prop-2-en-1-yl)-1Himidazol-3-ium] hexachloridostannate(IV), (C6H9N2)2[SnCl6], has been prepared and characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis and UV-visible spectroscopy. The structure consists of isolated [SnCl6]2-octahedral anions separated by layers of organic 1-(prop-2-en-1-yl)-1H-imidazol-3-ium cations. The 1-(prop-2-en-1-yl) fragment in the organic cation exhibits disorder over two sets of atomic sites having occupancies of 0.512 (9) and 0.488 (9). The crystal packing of the title compound is established by intermolecular N/C-H…Cl hydrogen bond and π- π stacking interactions. Hirshfeld surface Zanalysis employing three-dimensional molecular surface contours and two-dimensional fingerprint plots has been used to analyse the intermolecular interactions present in the structure. The optical properties of the crystal were studied using UV-visible absorption spectroscopy, showing one intense band at 208 nm, which is attributed to π-π* transitions in the cations.