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

A new 0D organic–inorganic hybrid material bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV), (C(6)H(9)N(2))(2)[SnCl(6)], has been prepared and characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis and UV–visible spectroscopy. The structure consists of iso...

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Autor principal: Ferjani, Hela
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534238/
https://www.ncbi.nlm.nih.gov/pubmed/33117576
http://dx.doi.org/10.1107/S2056989020012177
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author Ferjani, Hela
author_facet Ferjani, Hela
author_sort Ferjani, Hela
collection PubMed
description A new 0D organic–inorganic hybrid material bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV), (C(6)H(9)N(2))(2)[SnCl(6)], has been prepared and characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis and UV–visible spectroscopy. The structure consists of isolated [SnCl(6)](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 analysis 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.
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spelling pubmed-75342382020-10-27 Crystal structure, optical property and Hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV) Ferjani, Hela Acta Crystallogr E Crystallogr Commun Research Communications A new 0D organic–inorganic hybrid material bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV), (C(6)H(9)N(2))(2)[SnCl(6)], has been prepared and characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis and UV–visible spectroscopy. The structure consists of isolated [SnCl(6)](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 analysis 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. International Union of Crystallography 2020-09-08 /pmc/articles/PMC7534238/ /pubmed/33117576 http://dx.doi.org/10.1107/S2056989020012177 Text en © Hela Ferjani 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Ferjani, Hela
Crystal structure, optical property and Hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV)
title Crystal structure, optical property and Hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV)
title_full Crystal structure, optical property and Hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV)
title_fullStr Crystal structure, optical property and Hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV)
title_full_unstemmed Crystal structure, optical property and Hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV)
title_short Crystal structure, optical property and Hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexa­chlorido­stannate(IV)
title_sort crystal structure, optical property and hirshfeld surface analysis of bis­[1-(prop-2-en-1-yl)-1h-imidazol-3-ium] hexa­chlorido­stannate(iv)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534238/
https://www.ncbi.nlm.nih.gov/pubmed/33117576
http://dx.doi.org/10.1107/S2056989020012177
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