Crystal and geometry-optimized structure, Hirshfeld surface analysis and spectroscopic studies of tetrachlorocuprate and nitrate salts of 1-(2-fluorophenyl)piperazine cations, (C10H15FN2)[CuCl4] (I) and (C10H14FN2)[NO3] (II)

摘要

Two new organic-inorganic hybrid materials, 1-(2-fluorophenyl)piperazine-1,4-diium tetrachlorocuprate, (C10H15FN2)[CuCl4] (I) and 1-(2-fluorophenyl)piperazin-4-ium nitrate, (C10H14FN2)[NO3] (II), have been synthesized by an acid/base reaction at room temperature in the presence of 1-(2-fluorophenyl)piperazine as an organic-structure directing agent and their structures were determined by single crystal X-ray diffraction. Compound (I), (C10H15FN2)[CuCl4], crystallizes in the monoclinic system and P2(1)/c space group with a = 7.5253 (2), b = 20.6070 (7), c = 9.7281 (3) angstrom, beta = 103.6730 (17)degrees, V = 1465.82 (8) angstrom(3) with Z = 4. Full matrix least-squares refinement converged at R = 0.037 and wR(F-2) = 0.088. Compound (II), (C10F14FN2)[NO3], belongs to the monoclinic system, space group P2(1)/c with the following parameters: a = 10.8034 (2), b = 7.5775 (1), c = 14.4670 (3) angstrom, beta = 111.761 (2)degrees, V = 1099.91 (4) angstrom(3) and Z = 4. The structure was refined to R = 0.044, wR(F-2) = 0.136.