配合物[Cu(o-ABA)2(2，2′-bipy)]·(H2O)的水热合成、晶体结构及电化学性质

The title complex has been synthesized by o-acetamidobenzoic acid and 2,2′-bipyridine(bipy) in the mixture solvent of water and methanol. It crystallizes(C₂₈H₂₆CuN₄O₇, M_r=594.07) in Triclinic space group P1 with a=0.805 3(4) nm, b=0.845 5(4) nm, c=2.001 8(9) nm; α=100.797(8)°, β=93.054(7)°, γ=97.297(7)°, V=1.323 9(10) nm³, D_c=1.490 g·cm^-3, Z=2, F(000)=614. R₁=0.035 9, wR₂=0.080 5. The crystal structure shows that the copper atom is coordinated with four oxygen atoms from two o-acetamidobenzoic acid and two nitrogen atoms from the 2,2′-bipyridine, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 619084.     

[Mn(H2O)(phen)2(PAc)](ClO4)的合成、红外光谱及晶体结构

The complex [Mn(H₂O)(phen)₂(PAc)](ClO₄) was synthesized and investigated by elemental analysis, molar conductivity, IR spectrum and X-ray diffraction methods, where phen=1,10-phenanthroline and PAc=phenylac-etate group. The complex crystallizes in the triclinic space group,P1 , with a=0.9289(2)nm,b=1.2425(2)nm,c=1.4791(3)nm,α=114.34(3)°,β=91.25(3)°,γ=104.65(1)°,V=1.4893(4)nm³,Z=2,F(000)=686,D_c=1.489g·cm^-3,μ=0.589mm^-1. The Mn(Ⅱ) ion has a six-coordinate distorted-octahedral geometry with the four nitrogen atoms of two phen ligands,a coordinated-water oxygen atom, and a carboxylate oxygen atom of PAc^-. There is π-π stacking interaction between two phen rings from two neighbor molecules.     

三元混合配合物Cu(C10H8N2O3)·(C5H5N)·(H2O)的合成和晶体结构

The novel copper(Ⅱ) complex with 2-oxo-propionic acid benzoyl hydrazone and pyridine ligands, Cu(C₁₀H₈N₂O₃)·(C₅H₅N)·(H₂O) (C₁₀H₈N₂O₃^2- is the dinegative ion of 2-oxo-propionicacid benzoyl hydrazone), has been synthesized and characterized by elemental analysis and IR. The crystal structure of the title complex was determined by single crystal X-ray diffraction technique. Complex crystallized in the triclinic space group P1 with a = 0.729 08(10) nm, b= 1.020 01(14) nm, c= 1.126 28(15) nm, α = 71.644(2) °, β = 80.437(2) °, γ = 89.160(2)°, V= 0.78328(18) nm³, Z= 2, D_c= 1.547 Mg·m^-3, μ(MoKα) = 1.417 mm^-1, F(000) = 374. The final R₁ = 0.030 6, wR₂= 0.084 2 for 2 992 observed reflections [I≥2σ(I)] out of 3357 unique reflections. In this complex, copper(Ⅱ) ion is square-pyramidally coordinated by two oxygen atoms and one nitrogen atom of tridentate C₁₀H₈N₂O₃^2- ligand, one nitrogen atom of the pyridine ligand, and one oxygen atom of water molecule with the oxygen atom of water molecule locating at the apical position. The analysis of the crystal structure indicates that the complex has a one-dimensional chain structure, which is formed by intermolecular hydrogen bonds. CCDC: 222656.     

配合物[Cu2(phen)2](SiW12O40)(H2O)7的合成、晶体结构及电化学分析

The title complex has been synthesized by the reaction of silicotungstic acid, 1,10-phenanthroline (phen) monohydrate and cupric acetate. The crystal structure belongs to triclinic system, space group P1 with a=1.158 46(15) nm, b=1.658 8(2) nm, c=1.664 4(2) nm, α=82.090(2)°, β=76.001(2)°, γ=86.531(2)°, and V=3.072 6(7) nm³, D_c=3.887 g·cm^-3, Z=2, F(000)=3 196. R₁=0.086 7, wR₂=0.185 8. The structure shows that the copper(Ⅱ) atom is coordinated with two nitrogen atoms from the one phen and three oxgygen atoms from three water, forming a distorted square-pyramid configuration The cyclic voltametric behavior of the complex is also reported. CCDC: 298807.     

配合物[Cu(NPA)2(Im)2(H2O)]·H2O的合成、晶体结构及电化学性质

A novel copper(II) complex [Cu(NPA)₂(Im)₂(H₂O)]·H₂O has been synthesized (NPA=N-phenylanthranilic acid and Im=imidazole) and characterized by IR, elemental analysis and X-ray single crystal diffraction methods. It Crystallizes in Triclinic system, space group P1 with a=0.987 9(2) nm, b=1.075 7(3) nm, c=1.559 7(5) nm, α=104.18(10)°, β=108.14(10)°, γ=92.69(10)°, V=1.513 39(7) nm³, Z=2, D_c=1.447 g·cm^-3, F(000)=684, R₁=0.028 0, wR=0.083 1. The Cu(II) ion in the title complex is coordinated with two oxygen atoms from two N-phenylanthranilic acid in monodenate mode, two nitrogen atoms form two imidazole, and one oxygen atom from water, forming a distorted square-pyramid coordination geometry. CCDC: 638653.     

氢键构筑具有三维结构的配合物[Cu(N-phthgly)2(H2O)2]·C2H5OH的合成及晶体结构

A copper(Ⅱ) complex [Cu(N-phthgly)₂(H₂O)₂]·C₂H₅OH(N-Hphthgly=N-phthaloylglycine) has been synthesized and characterized by elemental analysis, infrared spectroscopy and X-ray crystallography. The complex crystallizes in triclinic space group P1 with a=0.472 90(7) nm, b=1.080 01(13) nm, c=1.154 02(15) nm, α=74.360 0(10)°, β=79.151 0(10)°, γ=87.918(2)°, V=0.557 37(13) nm³, Z=1. The central copper atom allows the formation coordination environment with two O(5) atoms of two water ligands and two O(1) atoms of two N-phthgly ligands. The complex forms a step-like 3D structure through the three types of O-H…O hydrogen bonds and the Cu…O weak interaction. CCDC: 712945.     

新的含有4-对甲基苯基-3，5-二(2-吡啶基)-1，2，4-三氮唑钴配合物的合成和晶体结构(英)

A new cobalt(Ⅱ) complex, [CoL₂(NCS)₂]·2CH₂Cl₂, [L=4-(p-methylphenyl)-3,5-bis(pyridin-2-yl)-1,2,4-triazole], was synthesized and its crystal structure was determined by X-ray analysis. The complex crystallizes in monoclinic system with space group P2₁/c, a=0.867 40(17), b=1.453 9(3), c=1.781 9(4) nm, β=91.18(3)°, V=2.246 7(8) nm³ and Z=2. The cobalt atom is in a distorted octahedral environment with two bidentate chelating L ligands in the equatorial plane and two NCS^- ions in the axial positions. CCDC: 251658.     

配合物[Cu(PTA)(phen)2]·(PTA)·(H2O)4的合成、晶体结构及电化学性质

The title complex has been synthesized by using terephthalic acid (PTA), 1,10-phenanthroline (phen) and copper monohydrate. It crystallizes in monoclinic space group C2/c with a=2.959 0(2) nm, b=1.466 4(10) nm, c=1.764 3(12) nm, β=105.593(11)°, V=7.372(9) nm³, Dc=1.489 g·cm^-3, Z=8, F(000)=3 416, R₁=0.043 6, wR₂= 0.151 9. The crystal structure shows that the copper atom is coordinated with four nitrogen atoms from two phens and one oxygen atom from one terephthalic acid, forming a distorted square-pyramid coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 277047.     

配合物[Co(phen)2(m-chlorobenzoic acid)2·(H2O)]·(H2O)2的水热合成、晶体结构电化学分析

The title complex has been synthesized with m-chlorobenzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous in the solvent mixture of water and methanol. Crystal data for this complex: triclinic, space group P1, a=0.870 7(3) nm, b=1.284 4(4) nm, c=1.692 9(5) nm; α=75.430(5)°, β=77.562(5)°, γ=86.346(5)°, V=1.789 4(9) nm³, D_c=1.456 g·cm^-3, Z=2, F(000)=806. Final GooF=1.065, R₁=0.068 4, wR₂=0.127 5. The crystal stru-cture shows that the Cobaly ion is coordinated with four nitrogen atoms from two 1,10-phenanthroline molecules and two oxygen atoms from one m-chlorobenzoic acid molecule and one water molecule respectively, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 619087.     

3-甲基-4-对甲苯基-5-(2-吡啶基)-1，2，4-三唑-铜(Ⅱ)配合物

A copper(Ⅱ) complex [CuL(H₂O)(Sal)]·0.5H₂O was obtained by the reaction of copper(Ⅱ) salicylate with 3-methyl-4-(4-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole (L) in ethanol-water solution at room temperature. The crystal belongs to triclinic system with space group P1, and a=0.913 6(4) nm, b=1.122 2(5) nm, c=1.263 3(7) nm, α=67.10(2)°, β=76.31(3)°, γ=68.17(2)°, V= 1.101(1) nm³, Z=2. The final refinement gave R₁=0.039 8 and wR₂=0.106 0 for 3 453 reflections with I>2σ(I). This complex is a good purple fluorescent material in solid state at room temperat-ure. CCDC: 685713.     

2′-(2-噻吩亚甲基)-2-羟基苯甲酰腙钴(Ⅲ)配合物的合成、表征及晶体结构

In ethanol, a mononuclear cobalt(Ⅱ) complex incorporating 2′-(2-Thienylidene)-2-Hydroxybenzoylhydra-zide has been synthesized and characterized by IR, UV-Vis, elemental analysis and X-ray crystal structure analysis. The crystal belongs to triclinic system, space group P1 with cell constant, a=1.230 69(10) nm, b=1.329 18(11) nm, c=1.330 56(11) nm, α=113.702(2)°, β=91.590(2)°, γ=100.846(2)°, V=1.944 4(3) nm³, Z=2, μ=0.662 mm^-1, D_c=1.482 g·cm^-3, F(000)=896, R_int=0.048 7. The crystal structure shows an anionic didentate ligand O and N donors in this work. The cobalt(Ⅲ) atom is hexacoordinated with oxygen atom from keto group and nitrogen atom from amide to form a cobalt atom for the core octahedral structure. CCDC: 748882.     

双核配合物[Cu2(L-Asp)(phen)3(NO3)](NO3)·4H2O的合成及晶体结构

The new complex [Cu₂(L-Asp)(phen)₃(NO₃)](NO₃)·4H₂O (L-Asp=L-aspartic acid and phen=1,10-phenanthroline) has been synthesized and its crystal structure has been determined. The complex crystallizes in the monoclinic with space group P2₁/c, The cell parameters are: a=1.261 3(2) nm, b=1.500 8(4) nm, c=2.230 7(4) nm, β=99.55(1)°, and V=4.164 1(16) nm³，D_c=1.587 g·cm^-3. The complex contains two six-coordinated copper ions, and these two copper ions are connected together by L-aspartate to give rise to a binuclear structure. Hydrogen bonds and π-π stacking interactions are observed in the complex. CCDC: 249250.     

[Cu(TO)2(H2O)4](PA)2的合成和晶体结构

[Cu(TO)₂(H₂O)₄](PA)₂ was prepared by mixing the aqueous solution of 1,2,4-triazol-5-one(TO) and Cu(PA)₂. The molecular structure and crystal structure of the title complex was determined by X-ray single crystal diffraction method. The crystal is triclinic, space group with a=0.7321(1)nm,b=0.7474(2)nm,c=1.3649(3)nm;α=88.65(2)°,β=85.63(1)°,γ=63.35(1)°;V=0.6655(2)nm³,Z=1. The Cu²⁺ coordinated with two TO molecule through its 2-nitrogen atom and four water molecules and showed an octahedral configuration.     

配合物[Cu(L-Ile)(TATP)(H2O)]ClO4的结构、表征及与DNA之间的相互作用

Ternary complex [Cu(L-Ile)(TATP)(H₂O)](ClO₄)] was synthesized and characterized by molar conductivity, rotational analysis, spectroscopic (IR and UV-Vis) and X-ray diffraction methods, where L-Ile=L-Isoleucine, and TATP=1,4,8,9-tetraazatriphenylene. The complex crystallizes in triclinic space group P1 with two molecules in a unit cell of dimensions a=8.240 3(9) nm, b=11.914 9(13) nm, c=13.436 0(15) nm, α=109.136(2)°, β=101.101(2)°, γ=106.302(2)°. V=1.209 2(5) nm³, Z=2, D_c=1.589 Mg·m^-3, μ=1.132 mm^-1，R₁=0.036 9, wR₂=0.098 0. The crystal contains two independent [Cu(L-Ile)(TATP)(H₂O)]⁺ complexes for Cu₁ and Cu₂, respectively, having essentially the same distorted square-pyramidal structure, where each Cu(Ⅱ) ion is coordinated with two nitrogen atoms of TATP and the amino nitrogen atom and one carboxylate oxygen atom of L-Ile in the equatorial positions and one water oxygen atom at an axial position. Furthermore, the primary studies on the interaction between the complex and calf thymus DNA were also performed by electronic absorption spectroscopy and viscosity methods. CCDC: 244231.     

配合物[Cu(HPHAc)2(py)2](H2PHAc=苯羟乙酸，py=吡啶)的合成和晶体结构

The novel copper(Ⅱ) complex with α-hydroxyphenylacetic acid (H₂PHAc) and pyridine (py) ligands, [Cu(HPHAc)₂(py)₂], has been synthesized and characterized by elemental analysis and IR spectroscopy. Its crystal structure was determined by single crystal X-ray diffraction techniques. The crystal belongs to monoclinic with space group C2/c. The cell parameters are: a=1.712 5(3) nm, b=1.533 2(2) nm, c=0.963 42(14) nm, β=111.866(2)°, V=2.347 6(6) nm³, and D_c=1.483 Mg·m^-3, Z=4, F(000)=1 084. The structure was refined to final R₁=0.071 4, wR₂=0.166 1. The complex has a six-coordinated distorted octahedral geometry, in which copper(Ⅱ) ion coordinates with two carboxylic oxygen atoms and two hydroxyl oxygen atoms from the two α-hydroxyphenylacetic acid ligands, two nitrogen atoms from the two pyridine ligands. The analysis of the crystal structure indicates that the complex has a one-dimensional chain structure, which is formed by intermolecular hydrogen bonds. CCDC: 255346.     

一个新的双核锌配合物Zn2(dhaash)2(py)4的合成及晶体结构

The crystal of binuclear zinc complex Zn₂(dhaash)₂(py)₄ was obtained in DMF and pyridine, where H₂dhaash is 2,4-dihydroxy-5-acetylacetophenone-N-salicylhydrazone. It has been characterized by IR, UV, element analysis and X-ray single crystal diffraction. The crystallographic data were as follows: monoclinic system, space group P2₁/c, a=1.108 98(11) nm, b=1.640 84(16) nm, c=1.445 14(14) nm, β=108.617(2)°, Z=2, V=2.492 1(4) nm³, D_c=1.466 g·cm^-3, M_r=1 099.74, μ=1.031 mm^-1, F(000)=1 136 and the final R=0.044 8 and wR=0.105 8 for 4 143 observed reflections with I≥2σ(I), respectively. The X-ray crystal structure analysis revealed that, in the centrosymmetric binuclear complex molecule, two zinc(Ⅱ) centers are linked by two oxygen atoms (O(3) and O(3A)), respectively. Zn(1)…Zn(1A) distance is 0.314 81(6) nm, O(3)…O(3A) distance is 0.270 4(2) nm. Every zinc(Ⅱ) ion has an elongated octahedral coordination. For example, the two pyridine nitrogen atoms, one oxygen atom and one nitrogen atom from salicylhydrazone, one oxygen atom from 2,4-dihydroxy-5-acetylacetophenone in one dhaash^2- ligand and one oxygen atom from 2,4-dihydroxy-5-acetylacetophenone in another dhaash^2- ligand coordinated to zinc(Ⅱ) ion, respectively. Two zinc(Ⅱ) ions and all the 72 non-hydrogen atoms in the two dhaash^2- ligands are in the same plane. CCDC: 261929.     

配合物[Ni(phen)3][(C6H5)2C(OH)COO]2·6H2O的合成、晶体结构及电化学性质

The title complex with benzilic acid and 1,10-phenanthroline monohydrate has been synthesized and characterized in the solvent mixture of water and methyl-alcohol. It falls into the triclinic, characteristic of the space group P1 with a=1.142 8(3) nm, b=1.638 8(4) nm, c=1.645 6(4) nm, α=74.428(5)°, β=84.205(5)°, γ=74.917(5)°, V=2.864 9(12) nm³, D_c=1.347 g·cm^-3. Z=2, F(000)=1 216, the reliability factor R₁=0.068 9, wR₂=0.189 9. The crystal structure shows that the nickel atom is coordinated with six nitrogen atoms from the three phens, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 274184.     

3-甲基-4-对甲基苯基-5-(2-吡啶基)-1，2，4-三唑双核铜(Ⅱ)配合物的合成、晶体结构及磁性

A dinuclear Cu(Ⅱ) complex [Cu₂(MMBPT)₂Cl₄(H₂O)_2.5] (I) [MMBPT=3-Methyl-4-(4-Methylphenyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by reaction of MMBPT with CuCl₂·2H₂O and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in monoclinic, space group P2₁/c with a=1.273 4(3) nm, b=1.237 5(3) nm, c=2.403 2(5) nm, β=90.51(3)°. V=3.786 6(13) nm³, Z=2, D_c=1.429 Mg·m^-3, μ=1.445 mm^-1, F(000)=1 660, and final R₁=0.055 5, wR₂=0.129 7. The crystal structure shows that the dinuclear Cu₂N₆ unit is almost planar in which each Cu(Ⅱ) ion was five-coordinated by one nitrogen atoms from MMBPT and two chlorine in the basal positions and two nitrogen atoms from two MMBPTs respectively in the axial one, to form a distorted trigonal bipyramidal geometry. Magnetic measurements reveal a relatively strong antiferromagentic interaction in the complex. CCDC: 720011.     

过渡金属-碱土金属铜钙四核配合物Cu2Ca2L2(H2O)6·2H2O的合成和晶体结构

The transition metal and alkaline earth metal tetranuclear complex Cu₂Ca₂L₂(H₂O)₆·2H₂O where H₄L represents the Schiff base N-3-carboxylsalicylideneglycylglycine was prepared and its crystal structure was determined by the single-crystal X-ray diffraction method at room temperature. It crystallizes in the monoclinic system, space group C2/c. The lattice parameters are a=2.128 2(2) nm, b=1.231 73(14) nm, c=1.32342(15) nm, β=93.619(2)°, M_r=939.81, D_c=1.803Mg·m^-3, F(000)=1 928, Z=4 with R₁=0.046 6. Each copper atom is coordinated by two nitrogen atoms, one carboxylate oxygen atom and one phenolic oxygen atom, in a square-planner manner. And each calcium atom is coordinated by three water oxygen atoms, three carboxylate oxygen atoms and one phenolic oxygen atom in a distorted pentagonal bipyramid. Two pentagonal bipyramids are connected by two carboxyl groups. CCDC: 239969.     

配合物Cu(3，5-DMBA)2(phen)的合成、晶体结构及电化学性质

A copper(Ⅱ) complex Cu(3，5-DMBA)₂(phen) has been synthesized by self-assembly of 3，5-dimethylbenzoic acid， 1，10-phenanthroline and copper perchlorate. Crystal data for this complex: Monoclinic， space group C2/c with a=2.348 3(5) nm， b=0.984 4(2) nm， c=1.138 4(2) nm， β=103.02(3)°， V=2.563 9(9) nm³， D_c=1.404 g·cm^-3， Z=4， F(000)=1 124， final GooF=1.051， R₁=0.035 0， wR₂=0.099 8. The crystal structure shows that the copper atom is coordinated with two oxygen atoms from two 3，5-dimethylbenzoic acids and two nitrogen atoms from the 1，10-phenanthroline， forming a square-planar structure. The result of the cyclic voltametric behavior analysis shows that the electron transfer in electrode reaction is quasi-reversible. CCDC: 650387.