Crystal structure, optical property and Hirshfeld surface analysis of bis-[1-(prop-2-en-1-yl)-1 H-imidazol-3-ium] hexa-chlorido-stannate(IV)

Hela Ferjani

doi:10.1107/S2056989020012177

Crystal structure, optical property and Hirshfeld surface analysis of bis-[1-(prop-2-en-1-yl)-1 H-imidazol-3-ium] hexa-chlorido-stannate(IV)

Acta Crystallogr E Crystallogr Commun. 2020 Sep 8;76(Pt 10):1624-1628. doi: 10.1107/S2056989020012177. eCollection 2020 Oct 1.

Author

Hela Ferjani¹

Affiliation

¹ Chemistry Department, College of Science, IMSIU (Imam Mohammad Ibn Saud Islamic University), Riyadh 11623, Kingdom of Saudi Arabia.

Abstract

A new 0D organic-inorganic hybrid material bis-[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa-chlorido-stannate(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- octa-hedral 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 inter-molecular N/C-H⋯Cl hydrogen bond and π- π stacking inter-actions. Hirshfeld surface analysis employing three-dimensional mol-ecular surface contours and two-dimensional fingerprint plots has been used to analyse the inter-molecular inter-actions 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.

Keywords: 1-(prop-2-en-1-yl)-1H-imidazole; Hirshfeld surface; chloridostannate(IV); crystal structure; fingerprint plots; optical absorption..