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.     

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（H） 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/cm^3, 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 Cl anions. The C-H…Cl intermolecular and intramolecular hydrogen bonds connect the molecules to form a three-dimensional network. This copper（II） complex shows more potent inhibitory activity against XO with IC50 = 3.48μM than the standard inhibitor allopurinol.     

Crystal Structure and Characterization of 2-N-(2-Hydroxy-benzylidene) Furanmethanoamine Nickel(II) Complex

1 INTRODUCTION Recently, the low-spin square-planar nickel(II) complexes and high-spin octahedral nickel(II) complexes with Schiff base ligands have received much attention in optical materials[1～3]. Some nic- kel(II) complexes are widely used as lubricating oil, rubber industry additives, a fire-resistant additive and fungicide for leather[4～7]. Also, their adducts with nitrogen have attracted broad attention due to their potential applications as organic conductors and magnetic mate…     

Synthesis and Crystal Structure of Copper(II) Complex with N-Acetoxyl-picolinamide

1 INTRODUCTION The picoloylhydrazide compounds are close to thebiologic environment and can react with microele-ments in organism so as to have antitubercular andantineoplastic activities. However, owing to the exis-tence of amino group, this kind of compounds aretoxic to some extent[1]. In order to decrease theirtoxicity, hydrazone or hydrazide compounds synthe-sized by the condensation reaction of amino and car-bonyl groups have been well studied in recentyears[1～7]. Herein we report t…     

Synthesis, Crystal Structure and Antimicrobial Activity of a Novel Ni(II) Complex

A new nickel(II) complex, C34H38N8NiO4, has been prepared and charac- terized by X-ray diffraction analysis. It crystallizes in the monoclinic system, space group P21/c with a = 11.715(5), b = 12.328(5), c =11.113(5) , β = 92.589(5)°, Z = 2, Dc = 1.411 g/cm3, μ = 0.658 mm-1, the final R = 0.0427 and wR = 0.1099 for 2229 observed reflections with I > 2σ(I). The complex is a centrosymmetric plane in which nickel(II) is coordinated in a regular octahedron to the ligand phenytoin through the nitrogen atoms of ethylenediamine, imine and amine. The complex was valued for its antimicrobial activity against bacterial strands using the agar diffusion method, and found to be active against the four test bacterial organisms. Preliminary screening for antimicrobial activities showed that the title complex is quite active against standard strains of Salmonella species, Staphylococcus aureus, Bacillus pumilus and Eschierichia coli.     

Crystal Structure and Characterization of 2-N-(2-Hydroxy-benzylidene) Furanmethanoamine Nickel(Ⅱ) Complex

The Ni(Ⅱ) complex with ligand 2-N-(2-hydroxy-benzylidene) furanmethanoamine has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction.It crystallizes in the monoclinic system, space group C2/c with a = 2.0280(4), b =0.57700(12), c = 1.7340(4) nm, β = 94.74(3)°, Z = 4, Dc = 1.508 g/cm3, the final R = 0.0434 and wR = 0.1112 for 1843 observed reflections with I ＞ 2σ(I).X-ray analysis revealed that the Ni(Ⅱ)ion is coordinated by two nitrogen atoms of Schiff base and two oxygen atoms of salicylaldehyde in the equatorial plane, and the coordination geometry can be described as a square.     

Synthesis and Crystal Structure of a Novel Copper (II) Complex with Acetylenedicarboxylate and 2, 2′-Bipyridine

The construction of molecular-based crystalline solids using coordination polymer has become a very active research field in recent years,not only due to their intriguing structural motifs,but also due to their potential applications in optical,electronic and magnetic materials1,2.Many of the most interesting coordination polymers are based on polycarboxylate ligands,such as maleate3,malonate4,1,4-benzenedicarboxylate5,1,3,5-benzenetricar-boxylate6and1,2,4,5-benzenetetracarboxylate7,which have …     

Preparation,Crystal Structure and Properties of a Pentametallic 3-Ferrocenyl-2-crotonic acid-Bridged Copper(II) Complex

IntroductionDimericcopper(II)carboxylatescontainingavarietyofoxygenandnitrogen donorligandshavebeenextensivelyinvestigatedandtheirpreparations ,magneticandspectralpropertieshavebeenreviewed .1 5Differentkindsofcopper(II)carboxylateadductshavebeensynthesizedandalsodinuclearcopper(II)complexeshavebeenearlystud iedasusefulmodelstoestablishmagneto structuralcorre lationsforspinexchangebetweenmetalions .Inparticu lar,theoccurrenceofdicopperionsattheactivesiteofthevariousformsoftheoxygencarrierpro…     

Crystal Structure of a Ternary Copper(Ⅱ) Complex of N,N'-(p-Xylylene)dialanine Acid and 1,10-Phenanthroline

The compound [Cu2(bpy)2(PDIAla)(H2O)2](ClO4)2·H2O(H2PDIAla = N,N'-(p-xylylene)dialanine,bipy = 2,2'-bipyridine) 1 has been synthesized and structurally determined by single-crystal X-ray diffraction,elemental analyses and IR spectroscopy.The crystal belongs to the monoclinic system,space group P21 with a = 10.9772(6),b = 18.5464(9),c = 11.0790(6) ,β = 116.3110o,V = 2021.87(18) 3,Z = 2,Dc = 1.594 Mg/m3,Mr = 970.70,μ = 1.260 mm-1,F(000) = 996,λ(MoKα) = 0.71073 ,the final R = 0.0400 and wR = 0.1050 for all observed reflections.In the structure,the O(5)-H(52)···O(4) hydrogen bonding between aqua ligand and carbonyl oxygen of the H2PDIAla ligand along the c axis produce hydrogen-bonded helices which are assembled along the b axis through O(61)-H(61)···O(2) and N(6)-H(6N)···O(2) interactions to form 2-D layers that are further linked by π···π interactions between bpy ligands to yield a three-dimensional supramolecular network.     

Synthesis and Crystal Structure of Copper(Ⅱ)Complex with N-Acetoxyl-picolinamide

Using Cu(Ⅱ) as the template, a complex {[Cu2L2(H2O)2] 4H2O}n (L = N-acetoxyl- picolinamide) has been successfully synthesized and characterized by single-crystal X-ray diffrac tion. The crystal is of monoclinic, space group C2/c, with a = 24.144(5), b = 7.1622(14), c = 17.283(4) (A), C16H24Cu2N4O12, Mr = 591.47, β = 131.73(3)°, V = 2230.3(8) (A)3, Z = 4, Dc= 1.761 g/cm3, F(000) = 1208,μ = 1.978 mm-1, R = 0.0400 and wR = 0.1099. The copper (Ⅱ) ion is five coordinated with a distorted square pyramidal geometry. The complex can be viewed as a one dimensional chain structure by carboxylic bridges among copper atoms. In the complex there exist hydrogen bonding interactions to stabilize the structure.     

Synthesis and Crystal Structure of Dinuclear Copper(Ⅱ)Complex Cu_2(μ-PhCOO)_4(amet)_2·2CH_3COCH_3

1INTRODUCT1ONFormode1ingcompoundsofcertaincopper-containingenzymes,theinvestigationofdinuclearcoppercomplexeshasattractedtheattentionofinorganicandbiologicchemistst1i.Actingasoxygentransportproteinsforinvertebrates,oxyhemocyanin(oxyHc)hasadinuclearcoppersitewithaCu-Cuseparationofca.3.6A[2'3i(Fig.1).In1984,Karlinetal-[4ireportedthesynthesisofadinuclearcopper(I)com-plexwithabidentateligand.Thecomplexreactswithdioxygenquasireversibly,whichproducesaperoxodinuclearcopper(I)complex(Nallo=8O3…     

Synthesis and Crystal Structure of Copper(II) Complex with Mixed Bipyridine and 2-Hydroxy-1-naphthaldehyde Ligands

1 INTRODUCTION Galactose oxidase is a monomeric enzyme that catalyzes the stereospecific oxidation of a broad range of primary alcohol substrates and possesses a unique mononuclear copper site essential for catalyzing a two-electron transfer reaction during the oxidation of primary alcohol to corresponding aldehydes[1]. The catalytic reaction is shown in Eq. 1. RCH2OH + O2 RCHO + H2O2 (1) A recent report on the crystal structure of galactose oxidase reveals a unique mo…     

Synthesis and Crystal Structure of a New Copper(II) Complex with 4-Cyanobenzoic Acid

1 INTRODUCTION Exploration on the syntheses and properties of car- boxylate complexes, especially aromatic carboxylate complexes, has always been a fascinating and chal- lenging research field for decades either in coor- dination chemistry or in functional materials[1, 2]. Cy- anobenzoic acid (Hcba) possessing two functional coordination groups should display structural diver- sities on the formation of complexes[3～15]. In particu- lar, the copper(II) carboxylate complexes bearing spe- …     

Synthesis, Crystal Structure and Quantum Chemistry Calculation of a Bis(dafone) Di(dmf) Copper(Ⅱ) Complex

The title compound [Cu(dafone)2(DMF)2](2ClO4 1 (dafone = 4,5-diazafluoren- 9-one, dmf = N,N(A)-dimethyl formamide) was synthesized by the reaction of Cu(ClO4 )2 and dafone in DMF solution at room temperature with pH = 3.0.The single-crystal X-ray analysis has revealed that 1 crystallizes in monoclinic, space group P21/n with a = 8.4853(8), b = 13.1520 (14), c = 14.3866(12) (A), β = 102.629(3)o, V = 1566.7(3) (A)3, C28H26Cl2CuN6O12, Mr = 773.00, Z = 2, Dc = 1.639 g/cm3 , F(000) = 790, μ = 0.942 mm-1, the final R = 0.0438 and wR = 0.1214 for 3165 obser- ved reflections with I > 2σ(I).X-ray analysis shows that compound 1 has unsymmetric chelation of dafone with one Cu-N bond being much longer than the other.Coordination geometry of Cu is a highly distorted octahedron and the whole structure is stabilized by π-π stacking and static attractive forces from [ClO4]- anions.Based on the crystal data, quantum chemistry calculation at the DFT/ B3LPY level was used to reveal the electronic structure of 1.     

Synthesis, Crystal Structure and Photoluminescent Properties of a New Dinuclear Copper(I) Complex [Cu_2(μ_2-dppm)_2(MeCN)_2(μ_2-MeCN)](ClO_4)_2·MeCN

The title compound [Cu_2(μ_2-dppm)_2(MeCN)_2(μ_2-MeCN)](ClO_4)_2·MeCN (dppm = bis(diphenylphosphino)methane) has been prepared and characterized. It crystallizes in the monoclinic system, space group P2_1/n, with a = 11.904(6), b = 20.755(11), c = 24.744(13) (A),β = 98.226(12)°, C_(58)H_(56)Cl_2Cu_2N_4O_8P_4,M_r= 1258.93, V=6051(5) (A)~3, Z = 4,D_c= 1.382 g/cm~3,μ = 9.52 mm~(-1), F(000) = 2592, R = 0.0533 and wR = 0.1295 for 6175 observed reflections with I > 2σ(I). Each Cu(I) center is tetrahedrally coordinated by two phosphine atoms from two bridging dppm ligands, one nitrogen atom from a terminally coordinated acetonitrile molecule, and another nitrogen atom from a μ_2-acetonitrile molecule. The two Cu(I) centers are bridged by two dppm ligands as well as a unique acetonitrile molecule. The full molecule exhibits a 'chair-like' configuration. This dinuclear complex exhibits intense or middle photoluminescence at room temperature in the solid state or actonitrile solution at 486 nm.     

Synthesis and Crystal Structure of a Copper(II) Complex with 2,4-Dihydroxybenzylidene Benzoylhydrazone Ligand

1 INTRODUCTION The chemical properties of acylhydrazones Schiff bases and their complexes with some transition metal ions have been intensively investigated in several re- search areas because of their chelating capability and pharmacological applications[1～10]. Intriguingly, the copper(II) complexes are shown to be signifycantly more potent than the metal free chelate, suggesting that the metal complex is the biologically active species. Owing to the biological interest in these types …     

Synthesis, Crystal Structure and Thermoanalysis of o-vanillin-ethylenediamine Schiff Base Copper( Ⅱ ) Complex

The crystal structure of the title compound [Cu (o-vanillin-ethylenediamine) (H2O)] is described. The complex crystallizes in the orthorhombic system, space group Pbn21 with formula = CuC18H20N2O5, cell dimensions are: a = 0.7490(3) nm, b = 0.9256(2) nm, c=2. 4691(6) nm, V=1.712 nm3, Z = 4, Dc=l.51 g/cm3. The kinetics of thermal decomposition of the complex was studied under the non-isothermal condition by TG. Kinetic parameters were obtained from the analysis of the TG, DTG curves by integral and differential methods. By comparison of the kinetic parameters, the most probable mechanism function is f(α) = (3/2) (1-α)[-ln(1-α)]1/3, and the mathematical expression for the kinetic compensation effect is lnA = 0. 201E+0. 531.     

Synthesis,Crystal Structure and Antimicrobial Activity of a New Ternary Copper(Ⅱ) Complex with p-Chlorophenoxyacetic Acid and 2-Amino Benzothiazole

A novel ternary complex of Cu(pcpa)2(aben)2 (pcpa=p-chlorophenoxyacetic acid anion,aben=2-amino benzothiazole) was synthesized by the reaction of copper acetate,2-amino benzothiazole and p-chlorophenoxyacetic acid.Elemental analysis,IR,UV and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure.The crystal crystalli-zes in the monoclinic system,space group C2/c with a=25.795(4),b=7.384(3),c =17.741(6),β=107.47(2)°,C30H24Cl2CuN4O6S2,Mr=735.09,V=3223.2(18) 3,Z=4,Dc=1.515 Mg/m3,λ(MoKα)=0.71073 ,μ=1.022 mm-1,F(000)=1500,the final R=0.0464 and wR=0.1244.A total of 3218 unique reflections were collected,of which 2228 with I 2σ(I) were observed.The Cu(II) atom is four-coordinated with two carboxylate oxygen atoms of the two pcpa ligands and two nitrogen atoms in thiazole rings of two aben ligands.The analysis of crystal structure shows intermolecular and intramolecular hydrogen bonds between amino-nitrogen atoms of the two aben ligands and carboxylate oxygen atoms of the two pcpa ligands.The antimicrobial properties of the title complex and its two free ligands were tested against representative bacterial and fungal strains.Results show that the antibacterial activity of the complex is less than or equal to that of 2-amino benzothiazole,but for yeasts and moulds,it exhibits excellent inhibitory effect better than that of its two free ligands.     

Synthesis and Crystal Structure of Bis[α-chloro-(o-chloro-benzylidene)] Hydrazine

The title compound bis[α-chloro-(o-chloro-benzylidene) hydrazine] (C14H8Cl4N2, Mr = 346.02) has been prepared, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 10.777(2), b = 6.456(2), c = 10.988(3) A, β = 90.48(2)o, V = 764.5(3) A3, Z = 2, Dc = 1.503 g/cm3, F(000) = 348 and μ(MoKα) = 0.763 mm-1 (λ = 0.71073 A). The structure was refined to R = 0.0793 and wR = 0.2398 for 1694 observed reflections with I > 2σ(I). The results of crystal structure determination show that both C(7) and C(7)a are of sp2 hybridization and there exists electronic conjugation in the aza-diene of -C=N-N=C.     

Synthesis and Structure of the Copper(I) Complex Containing Bis(diphenylphosphino)ethane

1 INTRODUCTION Procedures to synthesize copper(I) complexes are of great interest because of the diversity of products resulting from almost the same methodology. It has long been known that four-electron-donor diphosphine compounds Ph2P(CH2)nPPh2 are excellent bidentate ligands[1]. The chelating tendency decreases as the chain length increases, so that for the ligands Ph2P(CH2)nPPh2, the tendency to chelation is the greatest for bis(diphenylphosphino)ethane. Copper(I) displays wide…