Synthesis and Physico-chemical studies of a new non-centrosymmetric organic-inorganic hybrid material: [2,3-(CH3)2C6H3NH3]4 BiBr6NO3•2H2O

Organic-inorganic hybrid single crystals of [2,3-(CH3)(2)C6H3NH3](4)BiBr6NO3.2H(2)O were obtained by slow evaporation at room temperature and characterized by X-ray diffraction, IR and solid state NMR. This compound crystallizes in orthorhombic non-centrosymmetric space group Pca2(1) with the following lattice parameters: a= 25.8217(1), b= 7.8909(2), c= 21.4328(3)angstrom, V= 4367.07(13)angstrom(3) and Z= 4. The structure was refined to R = 0.057 for 7069 independent reflections. The crystal is built up of 2,3-dimethylanilinium cations, [BiBr6](3-), disordered [NO3] anions and water molecules. The crystal packing is governed by a threedimensional network of O-H center dot center dot center dot O, N-H center dot center dot center dot O and N-H center dot center dot center dot Br hydrogen bonds and van derWaals interaction. The infrared spectrum has been interpreted on the basis of literature data. Solid state C-13 CP-MAS-NMR spectrum is in agreement with the X-ray structure.