Synthesis and Crystal Structure of a Dinuclear Complex： Bis[aqua（phen）（4- aba）copper（Ⅱ）nitrate（4-abaH）dihydrate]

The title complex has been obtained by the reaction of copper nitrate tri-hydrate with 4-abaH (4-abaH=4-aminobenzonic acid) and phenanthroline in ethanol solution,and its structure was determined by X-ray crystallography with the following data: monoclinic,space group C2/c,Mr=1266.13,Cu2C52H54N10O20,a=25.884(5),b=10.205(2),c=20.849(4) ,β=106.34(3)°,Z=4,V=5284.7(18) 3,F(000)=2616,Dc=1.591 g/cm3,μ=0.896 mm-1,the final R=0.0441 and wR=0.1148 for 4200 observed reflections (I > 2σ(I)). In the molecule of the title complex,the asymmetric unit contains one half molecule. The Cu(Ⅱ) atom is five-coordinated by a terminal water molecule,a bidentate phenanthroline and two monodentate 4-aminobenzoate ligands forming a square pyramidal coordination environment. The two bridging 4-aminobenzoate ligands result in a dinuclear copper(Ⅱ) cluster with a short Cu–Cu distance (3.048 ) and a π-π stacking between the adjacent phenanthroline rings (2.96 ).     

Crystal Structure and Inhibitory Activity against Xanthine Oxidase of Bis(μ2-chloro)-chloro-(μ-N,N'-(2-pyridylmethylene)Furanmethanoamine Copper(Ⅱ)Complex

A chloro-bridged dinuclear copper(Ⅱ) complex with ligand 2-pyridylme-thylene-furfurylamine has been synthesized and characterized by single-crystal X-ray diffraction,and its inhibitory activity on xanthine oxidase(XO)Was also evaluated.It crystallizes in the triclinic system,space group P-1 with a=8.0441(16),b=8.5663(17),c=10.060(2)(A),α=77.52(3),β=72.04(3),γ=70.12(3)°,V=615.3(2)(A)3,Z=1,Dc=1.731 g/cm3,F(000)=322,the final R=0.0401 and wR=0.0934 for 1971 observed reflections with Ⅰ＞2σ(Ⅰ).X-ray analysis reveals that the Cu(Ⅱ)cation is five-coordinated by two N atoms of Schiff base and three C1 anions.The C-H…Cl intermolecular and intramolecular hydrogen bonds connect the molecules to form a three-dimensional network.Tilis copper(Ⅱ) complex shows more potent inhibitory activity against XO with Ⅰ C50=3.48/μM than the standard inhibitor allopurinol.     

Structural Studies and Photoluminescence of a Novel Mercury（Ⅱ） Complex Based on a Tris[4-（1-pyrazolyl）-phenyl]amine

A novel iodine-bridged mercury（Ⅱ） complex [Hg（L）（μ-I）（I）]2 was isolated by a reaction between HgI2 and the organic ligand tris[4-（1-pyrazolyl）phenyl]amine L, and the complex and ligand were both characterized by FT-IR spectroscopy, ^1H NMR and elemental analysis. The complex crystallizes in monoclinic space group P21/c with a = 9.579（5）, b = 27.331 （5）, c = 11.268（5） А, β= 105.624（5）°, Z = 2, Dc = 2.099 g·cm^-3 and μ= 7.620 mm^-1. The title complex C54H42Hg2I4N14 is a diplex bridged dinuclear complex consisting of two Hg（Ⅱ） ions, two ligands, two bridging I-anions, and two terminal I-anions. Universal hydrogen bonds in the complex with the partners of neighboring molecule have generated a supramolecular arrangement. Solid-state emission of the ligand and its complex have been investigated at room temperature.     

Crystal and Molecular Structure of Copper (Ⅱ) Dimeric Complex of S-Methyl-β-N-(Pyridine N-Oxide-2-ylmethylidene) Dithiocarbazate with Acetonitrile

The crystal and molecular structure of copper(Ⅱ) dimeric complex of S-methyl-B-N-(pyridine N-oxide-2-ylmethylidene) dithiocarbazate with acetonitrile, [CuL (CH3CN)]2 (ClO4)2, was determined by X-ray diffraction. The complex crystalizes in monoclinic system with space group P21/n, a= 7. 685(2), 6=20.160(6), c= 10. 847(5) A ,B = 107.89(3), Z=2,Dc=1.788 g/cm3, F(000) = 835. 8, u= 18. 17 cm-1(Moka,R= 0. 057.Each Cu(Ⅱ) ion in the complex is surrounded by a distorted square pyramidal. The basal plane is comprised of S, N and O atoms of one ligand together with a N atom of the solvent--acetonitrile, while the axial position is occupied by the S atom of the other ligand. The bond length of Cu-S(bridging) is 3. 038A . and Cu-Cu distance is 3. 700A.     

SYNTHESIS, STRUCTURE AND MAGNETISM OF μ-OXAMIDO BINUCLEAR COPPER(Ⅱ) COMPLEXES

Two new binuclear copper(Ⅱ) complexes, [Cu(oxpn)CuL](ClO_4)_2, have been synthesizedand characterized, where oxpn is N,N' bis(3-aminopropyl)oxamido and L is 1,10-phenan-throline (phen) or 5-nitro-1,10-phenanthroline (NO_2-phen). The crystal structure and vari-able-temperature magnetic susceptibility (4- 300 K) of the Complex (L=phen) have beendetermined. Crystal data: orthorhombic system, space group Pnma, with a = 10.433(1), b11.458(2), c = 21.999(2)A, z = 4. Every copper(Ⅱ) ion is in a square pyramidal environment.The two copper(Ⅱ) ions are linked by μ-oxamido bridge and the separation of them is 5.208A. The singlet-triplet energy gap J was found equal to -452.92cm~(-1), indicating that astrongantiferromagnetic spin-exchange interaction operates between the copper(Ⅱ) ions.     

Synthesis, Structure and Properties of Nqvel Dicopper( Ⅱ ) Complex [Cu(oxpn)Cu(tmen)_2]·(ClO_4)_2

The copper( Ⅱ ) complex, [Cu(oxpn)Cu(tmen)2](ClO4)2 was synthesized, where oxpn is N, N' -bis ( 3-aminopropyl) oxamido and tmen is N, N, N' N' -tetram-ethylethylenediamine. The crystal is triclinic, space group P 1, a=1-2349(2), b = 1.3093(2), c=1. 3855(2) nm, α=61-88(1), β=69.49(1), γ=57.91(1)°? V = 1. 6589 nm3, Z = 2. Both copper( Ⅱ ) ions are in a square pyramidal coordination environment , and linked by oxamido bridge. The distance between them is 0. 526 nm. Variable temperature (4. 2-300 K) magnetic susceptibility data for this complex show that there exists a relatively large antiferromagnetic exchange interaction between the two copper( Ⅱ ) ions with a J value of-740. 40 cm-1.     

Synthesis,Crystal Structure and Thermal Stability Properties of a Binuclear Copper(Ⅱ) Coordination Polymer {[Cu_2(4,4'-bipy)_2(o-ABA)_4(H_2O)_2][(H_2O)_2]}_n

One-dimensional chain copper(Ⅱ) coordination polymer has been synthesized and characterized in the solvent mixture of water and alcohol with o-acetamidobenzoic acid,4,4'-bipyridine and copper perchlorate.It is of tetragonal,space group P41212 with a=1.57756(10),b= 1.57756(10),c=2.1438(3)nm,V=5.3352(8) nm3,Dc=1.524 g/cm3,Z=4,F(000)=2536,R= 0.0479 and wR=0.0979.The crystal structure shows two coordination modes.The copper(1) is coordinated with two nitrogen atoms of one 4,4'-bipyridine molecule and two oxygen atoms from two o-acetamidobenzoic acid molecules,forming a distorted tetrahedral coordination geometry;the copper(2) is coordinated with two nitrogen atoms of one 4,4'-bipyridine molecule,four oxygen atoms from two o-acetamidobenzoic acid molecules and two water molecules,generating a distorted octahedral coordination geometry.The result of TG analysis shows that the title complex is stable below 180.0 ℃.     

Synthesis, Crystal Structure and Properties of a Dinuclear Cobalt（II） Complex [Co2（a-furacrylato）4（Phen）2（H2O）]·C2H5OH

A dinuclear cobalt(Ⅱ) complex [Co2(α-furacrylato)4(Phen)2(H2O)]·C2H5OH has been synthesized with α-furacrylic acid and 1,10-phenanthroline as the ligands, and its crystal structure was determined. The crystal is of monoclinic system, space group C2/c with a=1.07388(8), b=2.4300(2), c=1.86708(14)nm, β=104.3830(10)o, V=4.719.4(7) nm3 , Dc=1.503 g/cm3 , Z=2, F(000)=2196, GOOF=1.053, the final R=0.0343 and wR=0.0883. The crystal structure shows that two neighboring cobalt(Ⅱ) ions are linked by the bridging coordination of two α-furacrylic acid anions and one water molecule, and their end positions are respectively coordinated with two 1,10-phenanthroline molecules and two α-furacrylic acid anions, forming a dinuclear structure. Both cobalt(Ⅱ) ions adopt hexa-coordinated distorted octahedral geometry. The electrochemical and fluorescence properties of the title complex are also discussed.     

Hydrothermal Synthesis,Crystal Structure and Thermal Stability of a Binuclear Copper（Ⅱ） Complex with 3-（Pyridin-2-yl）-1,2,4-triazole

One novel binuclear copper(Ⅱ) complex [Cu 2 (Hpt) 2 (CO 3) 2 (H 2 O) 2 ]·H 2 O with copper carbonate and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) was hydrothermally synthesized and characterized by IR and X-ray diffraction analysis.The complex crystallizes in triclinic,space group P2 1 /n with a=0.6862(1),b=0.7805(1),c=1.1983(2) nm,α=72.03(2),β=107.72(3),γ=75.28(2)o,V=0.5884 nm 3,D c=2.105 g/cm 3,Z=1,F(000)=357,GOOF=1.041,the final R=0.01859 and wR=0.04348.The whole molecule is composed of two cooper ions,two Hpt molecules,two carbonate and three water molecules,forming a binuclear structure.The crystal structure shows that the cooper ion is coordinated with three nitrogen atoms from two Hpt molecules,two oxygen atoms from one carbonic acid and one water molecule,forming a distorted square pyramidal geometry.The TG analysis result shows that the title complex is stable under 131.0 ℃.     

Hydrothermal Synthesis,Crystal Structure,Spectrum Properties and Quantum Chemical Calculation of a Trinuclear Copper（Ⅱ） Complex with 3-（Pyridin-2-yl）-1,2,4-triazole

A three-dimensional framework copper(Ⅱ) coordination polymer with copper carbonate basic and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) has been hydrothemally synthesized.The complex (2,C14 H10 CuN8 ·3H2 O) crystallizes in tetragonal,space group P4 2 /n,a=2.08581(12),b=2.08581(12),c=0.72331(4) nm,M r=761.73,V=3.1468(3) nm 3,Dc=1.608 g/cm 3,Z=4,F(000)=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each copper ion is coordinated with five nitrogen atoms from four Hpt molecules,forming a distorted square pyramidal geometry.The fluorescence spectrum analysis shows that the title complex at room temperature exhibits intense photoluminescence with maximum emission at 450 nm.The quantum chemistry calculation study on the complex has been performed.The stability,some frontier molecular orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated.     

A Novel Binuclear Cu（Ⅱ） Complex with Nitroxide Radicals Exhibiting Ferromagnetic Interactions

A new binuclear Cu(Ⅱ) complex with nitronyl nitroxide radicals [Cu(NIT3Py)2Cl2]2(NIT3Py = 2-(3'-pyridinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been synthesized and structurally characterized by X-ray diffraction analysis.It crystallizes in monoclinic,space group C2/c with a = 38.483(4),b = 7.2450(8),c = 27.559(3) ,β = 134.0180(10)°,V = 5525.6(10) 3,C48H64Cl4Cu2N12O8,Mr = 1206.00,Z = 4,Dc = 1.450 g/cm3,μ(MoKα) = 1.025 mm-1,F(000) = 2504,S = 1.066,the final R = 0.0471 and wR = 0.1121 for 3286 observed reflections(I > 2σ(I)).The title complex consists of centrosymmetric dinuclear units [Cu(NIT3Py)2Cl2]2,in which the copper ions are square-pyramidally coordinated by two pyridyl nitrogen atoms of two radical ligands and three chlorine anions,two of which bridge the copper ions.The magnetic measurements show ferromagnetic interactions between the copper ions and the radical ligands.     

Synthesis,Crystal Structure and Property of a Binuclear Copper Complex [Cu_2L_2(pht)_2]_2·H_2O

A new binuclear copper complex, [Cu2L2(pht)2]2·H2O(Hpht = 5,5-diphenylhydantoin, i.e. phenytoin; L = 2-diethylaminoethanol), has been synthesized by the solvothermal method, and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group C2/c with a = 31.918(3), b = 12.9222(15), c = 19.868(2) , β = 98.762(2)o, V = 8098.8(16) 3, Dc = 1.429 Mg/m3, Z = 4, F(000) = 3640, μ = 1.107 mm-1, R = 0.0560 and wR = 0.1276(I 2(I)). Each copper(Ⅱ) in a molecule is coordinated with N and O atoms from ligand L and N atom from ligand Hpht in a tetradentate manner. Moreover, two copper(Ⅱ) centers are bridged by two O atoms of hydroxyl groups from two L ligands to form a slightly distorted binuclear {Cu2O2} diamond configuration. In addition, the interaction of this complex with calf thymus DNA(CT-DNA) was investigated by UV-vis spectrum and viscometry, and the complex may bind to DNA through intercalation.     

A Novel Layered Complex with Rhomboidal Channels:Hydrothermal Synthesis, Crystal Structure, and Properties of Cu(4,4′-bipy)2(H2PO4)2(H2O)2 (bipy=bipyridine)

The combination of both 4,4′-bipyridine(4,4′-bipy) and dihydrogen phosphate anion ligands with copper(Ⅱ) results in the formation of a novel layered compound Cu(4,4′-bipy)2(H2PO4)2(H2O)2. The crystal structure comprises discrete neutral Cu(4,4′-bipy)2(H2PO4)2(H2O)2 units. The copper atom, located on the crystallographic twofold axis, is coordinated with two nitrogen atoms of terminal 4,4′-bipy ligands and two water molecules at the equatorial positions, and two dihydrogen phosphate oxygen atoms at the axial positions, forming an elongated octahedron. The complex is a two-dimensional distorted rhomboidal network possessing two kinds of rhomboids with dimensions of ca. 1.6792 nm×0.3203 nm and 1.2778 nm×0.3198 nm, respectively. The two-dimensional networks are stacked parallelly on each other along c-axis to give an extended three-dimensional channel network with an interlayer distance of ca. 0.5030 nm. Crystal data: triclinic, space group P-1, a=1.0253(2) nm, b=1.4501(3) nm, c=0.79715(16) nm, α=97.91(3)°, β=90.99(3)°, γ=85.54(3)°, V=1.1703(4) nm3, Z=2, R=0.0892, wR=0.2451.     

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.     

Spectroscopic Studies of a Three-dimensional,Five-coordinated Copper(Ⅱ） Complex via Hydrogen Bonds:[Cu(PPD)(H2O)2](H2PDA=Pyridine-2,6-dicarboxylic Acid)

A new copper(Ⅱ） complex[Cu(PDA)(H2O)2] was synthesized and its structure was determined.Cu(Ⅱ）is five-coordinated in a tetragonal pyramid geometry.The two coordinating water molecules are different and the two Cu-O bond lengths differ by nearly 0.02nm.The whole crystal is linked to form a three-dimensional network by means of hydrogen bonds.The X-band ESR spectrum shows three different g tensors with a well-resolved hyperfine structure in the gz signal,giving the ESR parameters gx=2.05,gy=2.065 and gz=2.29.The covalency of the coordinate bonds and the deviation from tetragonal pyramid geometry for the complex are discussed based on the ESR spectra.     

2-(1H-1,2,4-三氮唑)乙酸Cu(Ⅱ)配合物的水热合成、晶体结构及性质

A copper(Ⅱ) complex [CuL2] [L=2-(1H-1,2,4-triazol-1-yl)acetic acid] has been synthesized by means of hydrothermal method, and characterized by elemental analysis, IR spectra and X-ray diffraction. Crystal data for this complex: monoclinic, space group P21/n, a=0.481 3(2) nm, b=1.151 1(6) nm, c=0.993 9(5) nm, β=100.528(8)°, V=0.541 4(5) nm3, Z=2, F(000)=318, Dc=1.937 g·cm-3, Final GooF=1.109, R1=0.027 6, wR2=0.075 6. The crystal structure shows the copper(Ⅱ) atom is six-coordinated by two triazole nitrogen atom and four carboxylate group oxygen atom from four distinct L- ligand, thereby forming a 2D network structure. The cyclic voltammetric behavior of the complex was described.     

Solvothermal Synthesis,Crystal Structure and Characterization of a New Binuclear Copper(Ⅱ) Complex with K~3:N~1:N~2:N~4-3-(Pyridin-2-yl)-1,2,4-triazole(HPT)

A new binuclear copper(Ⅱ) complex[Cu_2(MBBA)_2(HPT)_2(H_2O)_2]·2H_2O (1) was synthesized with copper acetate,2-(4-methylbenzoyl) benzoic acid (MBBA) and 3-(pyridin-2-yl)-1H-1,2,4-triazole (HPT).It crystallizes in the monoclinic space group P2_1/c with a=14.722(2),b=8.8907(12),c=18.5565(18)?,β=116.820(7)o,V=2167.6(5)?~3,M_r=483.96,D_c=1.483 g/cm~3,Z=4,μ(Mo Ka)=1.049 mm~(-1),F(000)=981,the final GOOF=0.952,R=0.0586 and w R=0.0823.The whole molecule consists of two copper ions bridged by two HPT molecules.The central Cu(Ⅱ) ion is coordinated by six atoms to give a distorted octahedral coordination geometry.The structure of 1 has been determined by X-ray diffraction,IR spectrum and thermal stability analysis.The solid-state fluorescence displays an obvious emission band at 412 nm upon excitation at 330 nm.Magnetic properties indicate that 1 exhibits antiferromagnetic properties.     

Synthesis and Crystal Structure of a New Mononuclear Copper(Ⅱ)Complex with 4,4',6,6'-Tetrabromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol

A new mononuclear Cu(Ⅱ)complex,[Cu(L)](H2L=4,4',6,6'tetrabromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol),has been synthesized and structurally characteri-zed.X-ray crystal stucture of the complex reveals that the Cu(Ⅱ)ion is four-coordinated by two oxygen atoms and two nitrogen atoms from L2-unit.Crystallographic data:monoclinic,space group P21/n with a=14.076(2),b=6.9801(14),c=19.858(2)(A),β=107.613(2)°,C16H10Br4CuN2O4,Mr =677.44,V=1859.6(5)(A)3,Dc=2.420 g/cm3,μ=9.796 mm-1,F(000)=1284,Z=4,the final R=0.0516 and wR=0.0938 for 1879 observed reflections with I＞20(I).The dihedral angel between the two coordination planes of Cu(1)-N(2)-O(4)and Cu(1)-N(1)-O(3))is 30.08(6)°.     

Trihydrated Complex of Tetrabenzimidazole Copper(Ⅱ) Sulfate

A Trihydrated complex of benzimidazole copper(Ⅱ) sulfate [(C7H6N2)4CuSO4]·3H2O was synthesized and structurally characterized. The crystal structure of this compound is built up of six solvated water molecules and two dissimilar copper ions identified as Cu1 and Cu2. The coordination geometry of copper(Ⅱ) is a slightly distorted square pyramid. The four equivalent tertiary nitrogen atoms of the benzimidazole ligand form an equatorial plane, while the oxygen atoms of sulfato occupy the axial site. In the solid state, the title compound forms a three dimensional network structure via hydrogen bonds. The benzimidazole, sulfato ion and H2O moieties are connected by the intermolecular hydrogen bonds. The (EPR) spectrum shows axial symmetry with g⊥=2.039 and g∥=2.285. Variable temperature magnetic susceptibility shows that there is a weak antiferromagnetic interaction between the neighboring copper(Ⅱ) ions.     

Hydrothermal Synthesis and Crystal Structure of a Novel Dinuclear Co(Ⅱ) Complex: [Co2(2,2(')-bpy)2((-L)2(L)2(μ-H2O)] (HL = 4-Chlorobenzoic Acid)

A new 4-chlorobenzoic acid bridge Co(Ⅱ) complex [Co2(2,2(')-bpy)2(μ-L)2(L)2(μ- H2O)] (HL = 4-chlorobenzoic acid) has been obtained by hydrothermal synthesis, and X-ray single-crystal diffraction analysis shows that it crystallizes in the monoclinic system, space group C2/c with a = 22.537(5), b = 16.212(3),c = 15.306(3)(A), β= 124.37(3)°, V = 4616.1(16) (A)3, Mr = 1070.45, Dc = 1.540 g/cm3, Z = 4, μ = 1.012 mm-1, F(000) = 2176, the final R = 0.0338 and Wr = 0.0810. The title complex is composed of dinuclear [Co2(2,2(')-bpy)2(μ-L)2(L)2(μ-H2O)] molecules. Each Co(Ⅱ) atom is coordinated by two nitrogen atoms from one 2,2'-bipyridine ligand, three oxygen atoms from three 4-chlorobenzoic ions and another oxygen atom from one water molecule. The two Co(Ⅱ) atoms are connected by two 4-chlorobenzoic ions and one bridged water molecule. The dinuclear molecules are interlinked by hydrogen bond and π-π stacking interactions into a three-dimensional supramolecular network.