Hydrothermal Synthesis, Crystal Structure and Photoluminescent Property of a Novel Complex [Zn(OHCT)

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A novel ligand 11-oxa-4,5,9,10,12,13-hexaaza-cyclopenta [b] triphenylene (OHCT) and its coordination polymer [Zn(OHCT)(1,2-BDC)]n 1 (1,2-BDC = 1,2-benzenedicarboxylate) were synthesized and characterized. Crystallographic data for OHCT: C14H6N6O5, Mr = 274.25, monoclinic, space group P21/c, a = 10.755(3), b = 11.710(4), c = 9.516(3) , β = 108.457(4)o, V = 1136.9(6) 3, Dc = 1.602 g/cm3, μ(MoKα) = 0.111 mm-1, F(000) = 560, Z = 4, the final R = 0.1534 and wR = 0.39709. Crystallographic data for 1: C22H10ZnN6O5, Mr = 503.73, triclinic, space group P , a = 6.1411(5), b = 10.9111(9), c = 14.1925(1) , α = 89.1830(1), β = 79.3030(1), γ = 84.6350(1)o, V = 930.36(1) 3, Dc = 1.798 g/cm3, μ(MoKα) = 1.376 mm-1, F(000) = 508, Z = 2, the final R = 0.0323 and wR = 0.0789. 1 has been obtained by using hydrothermal synthesis and characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction. In complex 1, the zinc atom is five-coordinated with three carboxylate oxygen atoms from three different 1,2-BDC ligands and two nitrogen atoms from one OHCT ligand, showing a distorted trigonal bipyramidal configuration. A novel ligand 11-oxa-4,5,9,10,12,13-hexaaza-cyclopenta [b] triphenylene (OHCT) and its coordination polymer [Zn (OHCT) , 2-BDC = 1,2-benzenedicarboxylate were synthesized and characterized. Crystallographic data for OHCT: C14H6N6O5, Mr = 274.25, monoclinic, space group P21 / c, a = 10.755 (3), b = = 9.516 (3) β, β = 108.457 (4) o, V = 1136.9 (6) 3, Dc = 1.602 g / cm3, μ (MoKα) = 0.111 mm- 4, the final R = 0.1534 and wR = 0.39709. Crystallographic data for 1: C22H10ZnN6O5, Mr = 503.73, triclinic, space group P, a = 6.1411 (5), b = 10.9111 (9), c = 14.1925 , α = 89.1830 (1), β = 79.3030 (1), γ = 84.6350 (1) o, V = 930.36 (1) 3, Dc = 1.798 g / cm3, μ (MoKα) = 1.376 mm-1, (000) = 508, Z = 2, the final R = 0.0323 and wR = 0.0789.1 has been obtained by using hydrothermal synthesis and characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction In complex 1, the zinc atom i s five-coordinated with three carboxylate oxygen atoms from three different 1,2-BDC ligands and two nitrogen atoms from one OHCT ligand, showing a distorted trigonal bipyramidal configuration.
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