Two 1-methyl-1H-benzo[d]imidazole derivatives, C_(18)H_(14)CuN_4O_4·C_4H_8O_2(1) and C_9H_9N_3O(2), have been synthesized and characterized by NMR, MS, FT-IR, elementary analysis and X-ray single-crystal ...Two 1-methyl-1H-benzo[d]imidazole derivatives, C_(18)H_(14)CuN_4O_4·C_4H_8O_2(1) and C_9H_9N_3O(2), have been synthesized and characterized by NMR, MS, FT-IR, elementary analysis and X-ray single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group P2_1/n with a = 9.6888(3), b = 7.3772(2), c = 14.3277(4)A, β = 95.819(3)°, V = 1018.81(5) A3, M_r = 501.98, Z = 2, D_c = 1.636 g/cm^3, F(000) = 518, μ = 1.123 mm^(-1), MoKα radiation(λ = 0.71073 A), the final R = 0.0325 and wR = 0.0859 for 1821 observed reflections with I 〉 2σ(I). Compound 2 crystallizes in monoclinic, space group C2/c with a = 14.2908(14), b = 14.4268(13), c = 8.4802(6) A, β = 108.513(9)o, V = 1657.9(3) A3, M_r = 175.19, Z = 8, D_c = 1.404 g/cm^3, F(000) = 736, μ = 0.097 mm^(-1), Mo Kα radiation(λ = 0.71073 A), the final R = 0.0563 and wR = 0.1531 for 1231 observed reflections with I 〉 2σ(I). Intermolecular(N-H···N, N-H···O) and intramolecular(N-H···N, C-H···O) hydrogen bonds, as well as C-H···π and π-π stacking interactions, help to stabilize the crystal structure of compound 2.展开更多
A rare doubly-interpenetrating Zn-MOF(complex 1),formulated as{Zn(tci)-(bpy)(NO3)·DMF·0.5CH3CN}n(H3tci=tri(2-carboxyethyl)isocyanurate,bpy=4,4-bipyridine),has been constructed under solvothermal conditions a...A rare doubly-interpenetrating Zn-MOF(complex 1),formulated as{Zn(tci)-(bpy)(NO3)·DMF·0.5CH3CN}n(H3tci=tri(2-carboxyethyl)isocyanurate,bpy=4,4-bipyridine),has been constructed under solvothermal conditions and characterized by single-crystal X-ray diffraction,infrared spectroscopy(IR)and powder X-ray diffraction(PXRD).1 crystallizes in monoclinic system,space group C2/c with a=21.5759(4),b=12.87221(18),c=26.4917(5)Å,β=109.462(2)°,V=6937.1(2)Å3,C50H56N14O27Zn4,Mr=1546.56,Z=4,Dc=1.481 g·cm-3,μ=2.325 mm-1λ=1.54178Å,F(000)=3160,S=1.041,R=0.0621 and wR=0.1773.1 features a two-fold interpenetrating 3D hms topology.Moreover,the thermal stabilities,fluorescent and CO2 adsorption properties were investigated.Complex 1 showed highly encoura-ging photocatalytic degradation of toxic dye molecules with a potential application in wastewater purification.展开更多
A novel 3D ytterbium supramolecular compound, [Yb(HBDDC)(H20)4]·2H2O(1), was synthesized via 5,5'-(buta-diyne-1,4-diyl)diisophthalic acid ligand(HaBDDC) under solvothermal conditions. Single-crystal X-...A novel 3D ytterbium supramolecular compound, [Yb(HBDDC)(H20)4]·2H2O(1), was synthesized via 5,5'-(buta-diyne-1,4-diyl)diisophthalic acid ligand(HaBDDC) under solvothermal conditions. Single-crystal X-ray diffraction analysis reveals that compound 1 crystallizes in triclinic system, PT space group with a=0.71372(14) nm, b=1.0566(2) nm, c=1.7969(4) nm, a=101.01(3)°, β=98.15(3)°, γ=99.17(3)° and V=1.2922(4) nm3. Compound 1 exhi- bits a special infinite 1D chain, which stacks parallel each other in an ABAB sequence, leading to the formation of a 3D supramolecular structure owing to the strong π-π interactions between adjacent phenyl ring groups. Moreover, compound 1 manifests excellent luminescent property.展开更多
基金Supported by the National Natural Science Foundation of China(No.31370373 and 21102084)Natural Science Foundation of Hubei Province(No.2012FKC14401)
文摘Two 1-methyl-1H-benzo[d]imidazole derivatives, C_(18)H_(14)CuN_4O_4·C_4H_8O_2(1) and C_9H_9N_3O(2), have been synthesized and characterized by NMR, MS, FT-IR, elementary analysis and X-ray single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group P2_1/n with a = 9.6888(3), b = 7.3772(2), c = 14.3277(4)A, β = 95.819(3)°, V = 1018.81(5) A3, M_r = 501.98, Z = 2, D_c = 1.636 g/cm^3, F(000) = 518, μ = 1.123 mm^(-1), MoKα radiation(λ = 0.71073 A), the final R = 0.0325 and wR = 0.0859 for 1821 observed reflections with I 〉 2σ(I). Compound 2 crystallizes in monoclinic, space group C2/c with a = 14.2908(14), b = 14.4268(13), c = 8.4802(6) A, β = 108.513(9)o, V = 1657.9(3) A3, M_r = 175.19, Z = 8, D_c = 1.404 g/cm^3, F(000) = 736, μ = 0.097 mm^(-1), Mo Kα radiation(λ = 0.71073 A), the final R = 0.0563 and wR = 0.1531 for 1231 observed reflections with I 〉 2σ(I). Intermolecular(N-H···N, N-H···O) and intramolecular(N-H···N, C-H···O) hydrogen bonds, as well as C-H···π and π-π stacking interactions, help to stabilize the crystal structure of compound 2.
基金supported by the National Natural Science Foundation of China(Nos.21401096 and 21701021)。
文摘A rare doubly-interpenetrating Zn-MOF(complex 1),formulated as{Zn(tci)-(bpy)(NO3)·DMF·0.5CH3CN}n(H3tci=tri(2-carboxyethyl)isocyanurate,bpy=4,4-bipyridine),has been constructed under solvothermal conditions and characterized by single-crystal X-ray diffraction,infrared spectroscopy(IR)and powder X-ray diffraction(PXRD).1 crystallizes in monoclinic system,space group C2/c with a=21.5759(4),b=12.87221(18),c=26.4917(5)Å,β=109.462(2)°,V=6937.1(2)Å3,C50H56N14O27Zn4,Mr=1546.56,Z=4,Dc=1.481 g·cm-3,μ=2.325 mm-1λ=1.54178Å,F(000)=3160,S=1.041,R=0.0621 and wR=0.1773.1 features a two-fold interpenetrating 3D hms topology.Moreover,the thermal stabilities,fluorescent and CO2 adsorption properties were investigated.Complex 1 showed highly encoura-ging photocatalytic degradation of toxic dye molecules with a potential application in wastewater purification.
基金Supported by the National Natural Science Foundation of China(No.20701015).
文摘A novel 3D ytterbium supramolecular compound, [Yb(HBDDC)(H20)4]·2H2O(1), was synthesized via 5,5'-(buta-diyne-1,4-diyl)diisophthalic acid ligand(HaBDDC) under solvothermal conditions. Single-crystal X-ray diffraction analysis reveals that compound 1 crystallizes in triclinic system, PT space group with a=0.71372(14) nm, b=1.0566(2) nm, c=1.7969(4) nm, a=101.01(3)°, β=98.15(3)°, γ=99.17(3)° and V=1.2922(4) nm3. Compound 1 exhi- bits a special infinite 1D chain, which stacks parallel each other in an ABAB sequence, leading to the formation of a 3D supramolecular structure owing to the strong π-π interactions between adjacent phenyl ring groups. Moreover, compound 1 manifests excellent luminescent property.