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