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Synthesis, crystal structure, and characterization of a new non-centrosymmetric organic–inorganic hybrid material: [C6H16N2]2(BiBr6)NO3

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Abstract

A novel organic–inorganic hybrid material, [C6H16N2]2(BiBr6)NO3, was synthesized, and its structure was determined by means of single crystal X-ray diffraction studies at room temperature in the non-centrosymmetric orthorhombic space group P21212 with the following parameters: a = 17.629(5) Å, b = 20.279(5) Å, c = 7.319(5) Å, and Z = 4. The crystal lattice is composed of discrete hexabromobismuthates and nitrate anions surrounded by trans-2,5-dimethylpiperazine-1,4-diium cations linked via simple and bifurcated N–H···Br(O) and weak C–H···Br(O) hydrogen bonds to form three-dimensional network. The vibrational spectrum has been measured at room temperature by FT-IR spectroscopy (4000–400 cm−1) on polycrystalline samples, shows the presence of organic cation and nitrate anion. The number of 13C CP-MAS NMR lines is in full agreement with the crystallographic data.

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Acknowledgments

This work is supported by the Tunisian National Ministry of Higher Education and Scientific Research.

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Authors and Affiliations

  1. Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021, Zarzouna, Tunisie

    Manel Essid, Mohamed Rzaigui & Houda Marouani

  2. Centre de Diffractométrie X, UMR 6226 CNRS, Unité Sciences Chimiques de Rennes, Université de Rennes I, 263 Avenue du Général Leclerc, 35042, Rennes, France

    Thierry Roisnel

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  1. Manel Essid
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  2. Thierry Roisnel
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  3. Mohamed Rzaigui
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  4. Houda Marouani
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Correspondence to Manel Essid.

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Essid, M., Roisnel, T., Rzaigui, M. et al. Synthesis, crystal structure, and characterization of a new non-centrosymmetric organic–inorganic hybrid material: [C6H16N2]2(BiBr6)NO3 . Monatsh Chem 146, 1959–1965 (2015). https://doi.org/10.1007/s00706-015-1485-9

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  • DOI: https://doi.org/10.1007/s00706-015-1485-9

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