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1.
A novel binuclear Cu(Ⅱ)complex[Cu(paba)C1](pabaH=2-(2-pyridylmethylimine)benzenesulfonic acid)has been synthesized and characterized by elemental analysis,IR andsingle-crystal X-ray diffraction.The crystal of the title complex crystallizes in a monoclinie system,space group P21/n,with a=6.8165(7),b=15.3073(16),c=12.3795(13)(A),β=95.0160(10)°,V=1286.8(2)(A)3,Mr=360.26,Dc=1.860 g/cm3,μ=2.074 mm-1,F(000)=724,Z=4,the final R=0.0252 and wR=0.0675 for 2395 observed reflections with I>2σ(I).The title complex is centrosymmetric and a pair of chlorides act as μ2-bridges to link two Cu(Ⅱ)ions forming a binuclear complex.Every Cu(Ⅱ)ion is five-coordinated by pyridyl N,imine N and sulfonate O atoms of the tridentate paba ligand as well as two bridging Cl-,constructing the distorted square-pyramidal geometry.In the structure extensive hydrogen bonds and weak π-π stacking stabilize the solid structures,through which the complex builds its 3-dimensional supramolecular structure.  相似文献   

2.
A new dinuclear copper complex, [Cu(C9H11N3)Cl2]2(C18H22Cl4Cu2N6), has been synthesized and characterized by X-ray structure determination. It crystallizes in the triclinic P1^- space group with a = 7.526(3), b = 9.473(4), c = 9.535(3)A, α = 117.214(10), β = 108.251(9), γ = 91.560(6)°, V = 562.3(4)A^3, Z = 1, Mr = 591.30, F(000) = 298, Dc = 1.746 g/cm^3, μ(MoKα) = 2.385 mm^-1, the final R = 0.0577 and wR = 0.1248 for 2188 unique reflections with 1629 observed ones (Ⅰ〉 2σ(Ⅰ)). In the title complex, each copper(Ⅱ) atom is located at the center of a distorted trigonal bipyramid of five coordination atoms (two nitrogen and three chlorine atoms). Two copper(Ⅱ) atoms were bridged by two chlorine anions (Cl(2) and Cl(2a)) to form a Cu(Ⅱ)-Cu(Ⅱ) binuclear entity with the distance between two copper(Ⅱ) atoms of 3.398 (A).  相似文献   

3.
蔡成翔  何坤欢  蒋毅民 《结构化学》2009,28(10):1275-1280
The title complex [Cu2(Sams)2(H2O)2(bipy)]·(H2O) 1 (H2Sams = N-(2-hydroxybenzy) aminomethanesulfonic acid, bipy = 4,4′-bipyridine) has been synthesized by the reaction of Cu- (CH3COO)2·H2O, nESams and 4,4′-bipyridine in aqueous methanol. It was characterized by IR, elemental analysis, thermogravimetric analysis (TGA) and X-ray diffraction analysis. Complex 1 crystallizes in monoclinic, space group P21/n with a= 10.9533(17), b = 8.3408(13), c = 16.714(3) A^°, β = 101.295(4)°, V = 1494.3(4) A^°3 and Z = 2. The asymmetric unit is comprised of a tridentate Schiff base Sams^2- anionic ligand, a 4,4′-bipyddine and two coordinated water molecules, thus forming a binuclear copper(Ⅱ) complex. The coordination environment at Cu^Ⅱ center is described as a slightly distorted square pyramidal geometry. Via intermolecular hydrogen bonds C(10)-H(10)…O(3) and C(13)- H(13)…O(3), an infinite supramolecular chain is yielded. A number of intermolecular hydrogen bonds greatly contribute to the stabilization of the solid-state structure for 1.  相似文献   

4.
银秀菊  欧阳淼  刘旭辉  蒋毅民 《结构化学》2009,28(10):1251-1256
A novel coordination polymer [Na2Cd(2,6-pyda)(N3)2(H2O)6]n (2,6-H2pyda = 2,6- pyridinedicarboxylic acid) has been synthesized 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 = 24.416(4), b = 10.7638(17), c = 6.9224(11) A^°, β= 106.124(2)A^°, V = 1747.7(5) A^°3, Mr = 515.64, De= 1.960 g/cm^3,μ = 1.365 mm^-1, F(000) = 1024, Z = 4, the final R = 0.0426 and wR = 0.1320. In the title complex, there exist two kinds of metal centers in the structure, cadmium ions and sodium ions. The Cd(Ⅱ) atom shows a distorted pentagonal-dipyramidal geometry defined by two O and one N atoms from one deprotonated pyda ligand and four N atoms from four μ-1,1,3 azido groups. The adjacent cadmium atoms are bridged via two μ-1,1,3 azido groups, along the c axis to afford an extended chain. There is also a 2D network which is comprised of binuclear subunits [NaE(H2O)6] connected by O atoms from coordinated water between the adjacent Cdn(pyda)n(Na)2n infinite chains. Furthermore, each cadmium atom is connected with four adjacent sodium atoms through the bridging N3- ligand in μ-1,3 patterns. Thus, the title complex exhibits a novel three-dimensional network structure.  相似文献   

5.
The title compound [Cu2(μ2-dppm)2(MeCN)2(μ2-MeCN)](ClO4)2·MeCN (dppm = bis(diphenylphosphino)methane) has been prepared and characterized. It crystallizes in the monoclinic system,space group P21/n,with a = 11.904(6),b = 20.755(11),c = 24.744(13)A,β = 98.226(12)°,C58H56Cl2Cu2N4O8P4,Mr = 1258.93,V = 6051(5) A^3,Z = 4,Dc = 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 μ2-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.  相似文献   

6.
The title compound has been synthesized by the addition reaction of N-(4-cyanopyrazole-3-yl)-3,5-difluorophenyl-imine and diisopropyl phosphate. Its structure was confirmed by means of IR, ^1H NMR and elemental analysis. The single-crystal structure of the title compound was determined by X-ray crystallography. The compound crystallizes in monoclinic, space group C2/c with a = 18.9959(14), b = 9.2212(7), c = 22.1108(16)A^°, β= 90.1540(10)°, V = 3873.0(5) A^°^3, Dc = 1.366 g/cm^3, Z = 8, μ = 0.185, F(000) = 1664, and the final R = 0.0503 and wR = 0.1539 for 2996 observed reflections (I 〉 2σ(I)). The results demonstrate that the dihedral angle between the pyrazole and benzene rings is 105.5°, and there is a full delocalized pyrazole system with sp^2 hydridization of N(3). The crystal structure is stabilized by two intermolecular hydrogen bonds of N(1)-H(1)…O(3) and N(3)-H(3A)…N(4). The preliminary biological test shows that the title compound has a moderate antifungal activity.  相似文献   

7.
The title compound, [Cu2(C7H5O2)4(C2H6O)2], was synthesized by the reaction of benzoic acid, copper acetate and ethanol in an aqueous solution. Trypan blue dye exclusion method was used in experiment. X-ray single-crystal analysis has revealed that compound 1 (C32H32Cu2O10) crystallizes in the monoclinic system, space group C2/c, Mr = 703.66, a = 47.340(5), b = 6.6613(4), c = 22.028(2)A,β = 113.284(4)°, V = 6380.6(10) A^3, Z = 8, Dc= 1.465 g/cm^3, F(000) = 2896,μ = 1.388 mm^-11, the final R = 0.0515 and wR = 0.1172 for 5712 observed reflections with I 〉 2σ(I). X-ray crystal structure analysis suggests that compound [CH2(C7H5O2)4(C2H6O)2] has a binuclear structure with two Cu(II) atoms coordinated by four benzoate groups and two ethanol molecules. The crystal packing is stabilized by intermolecular O-H...O hydrogen bonds. The compound inhibits the proliferation of K562 cells (chronic myeloid leukemic cells) significantly and dose-dependently in 48 h, and IC50 of K562 is 17.3μg/mL by trypan blue dye exclusion method.  相似文献   

8.
A new dinuclear copper(Ⅱ) complex with imino nitroxide radicals [Cu2(NO3)2(IM- 1 ′-MeBzIm)2(dca)2] (IM-1 ′-MeBzIm = 2-{2′-[(1′-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl, dca = dicyanamide anion) has been prepared and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in triclinic, space group P 1^-, with α = 9.440(5), b = 10.124(6), c = 11.603(7) A, α = 102.904(7), β = 94.033(6),γ = 104.299(7)°, C34H40Cu2N16O8, Mr = 927.90, V= 1038.2(10) A^3, Z = 1, Dc = 1.484 g/cm^3, μ(MoKα) = 1.093 mm^-1, F(000) = 478, R = 0.0609 and wR = 0.1512 for 2889 observed reflections with Ⅰ 〉 2σ(I). X-ray analysis reveals that two Cu(Ⅱ) atoms are bridged by two dicyanamides to form a centrosymmetric Cu(Ⅱ)-Cu(Ⅱ) dinuclear entity. Every Cu(Ⅱ) ion is five-coordinated with a distorted square pyramidal coordination geometry and IM-1′-MeBzlm ligand coordinates to the metal ion with the k^2 N(1 ′-MeBzlm), O(IM) mode to avoid steric hindrance with the methyl group in the complex. Meanwhile, the molecules are linked by intermolecular hydrogen bonds, leading to a 1-D chain structure. Moreover, such chains are further linked by π-π stacking interactions to form a 2-D network structure. Magnetic measurement demonstrates that the intramolecular exchange couplings between Cu(Ⅱ) ion and the IM-1 ′-MeBzIm are ferromagnetic with J = 12.46 cm^-1, where the spin Hamitonian is defined as H^ = -2JS^1S^2 within the complex.  相似文献   

9.
The mononuclear complex, Cu(H2SIP-O)(bpy)(H2O) (H4SIP-O = 4-hydroxyl- 5-sulfoisophthalic acid and bpy = 2,2'-dipyridyl), has been synthesized by the hydrothermal reaction of Cu(OH)2 with NaH2SIP and bpy at 160 ℃, and characterized by single-crystal X-ray diffraction, elemental analysis and IR spectrum. The new ligand 4-hydroxyl-5-sulfoisophthalic acid derived from 5-sulfoisophthalic acid ligand under an in situ hydrothermal condition. The crystal of the complex crystallizes in a triclinic system, space group P1, with a = 7.757(4), b = 10.663(6), c = 11.727(7)A, α = 94.272(4), β = 104.067(7), γ = 97.400(7)°, V= 927.4(9)A^3, Z = 2, C18H14N2O9SCu, Mr= 497.93, Dc= 1.783 g/cm^3,μ = 1.350 mm^-1, F(000) = 506, the final R = 0.0518 and wR = 0.1513 for 4180 observed reflections with I 〉 2σ(I). The central Cu(II) ion is five-coordinated by two oxygen atoms from the H2SIP-O^2- ligand and two nitrogen atoms of bpy ligand in a distorted square-planar geometry as well as a water oxygen atom in the apical position to complete a distorted square-pyramidal coordination geometry. The mononuclear copper molecules are linked by hydrogen bonds between coordinated water molecules and sulfonate groups to form a one-dimensional double-chain structure. The chains are further held together through extensive π-π stacking interactions between the aromatic rings to form a three- dimensional supramolecular structure.  相似文献   

10.
The title complex [Co(L)2]Cl·4H2O I has been achieved via self-assembly by incorporating cobalt into 2-benzoylpyridine thiosemicarbazonate ligand, and characterized by elemental analysis, infrared spectra, mass spectra and single-crystal X-ray diffraction study. The crystal crystallizes in monoclinic, space group P2 1/n, with a = 10.227(3), b = 17.363(4), c = 17.459(4) A, β= 100.408(4)°, V= 3049.2(13) A^3, Z = 4, Mr = 677.08, Dc = 1.475 g/cm^3, μ(MoKα) = 0.834 mm^-1, F(000) = 1400, the final R = 0.0747 and wR = 0.0896 for 1663 observed reflections with I 〉 2σ(I). The complex contains one six-coordinated cobalt ion connected by two thiosemicarbazone ligands which act as a tridentate ligand to coordinate with the center metal atoms via two pyridyl nitrogen atoms, two imine nitrogen atoms and two sulfur atoms giving rise to a mononuclear structure. Hydrogen bonds existing in the complex link the different components to stabilize the crystal structure. The antiturnor activity of the title complex was tested against A549 lung cancer cell line. Complex ! exhibits antitumor activity.  相似文献   

11.
A dimeric coordination complex Cd2(ncpo)2(phen)2(H2O)2 was constructed by a flexible dicarboxylic acid, 2-nitro-4-carboxylphenoxyacetic acid. Its crystal structure was determined by X-ray single-crystal diffraction analysis. The crystal is of monoclinic system, space group P21/n with a = 17.2616(3), b = 12.7460(2), c = 18.4041(3) A^°, β= 94.432(1)°, C42H30Cd2N6O16, Mr = 1099.52, V = 4037.09(12)A^°^3 Dc = 1.809 g/cm^3, F(000) = 2192, μ = 1.139 cm^-1 and Z = 4. The final R = 0.0218 and wR = 0.0703 for 8288 observed reflections with I 〉 2σ(I). There are two crystallographically independent but structurally very similar molecules in the unit cell of the title complex. It is noticeable that the ligand ncpo^2- displays a good flexibility, demonstrating different modes from the rigid ligands. The luminescence property has been investigated, which shows photoluminescence at 465, 490 and 574 nm upon excitation at 320 nm in the solid state at room temperature.  相似文献   

12.
The structure of a copper(Ⅱ) polymer, [Cu(IP)(TBZH)]2n 1 (TBZH = thiabendazole, IP = isophthalic acid), has been determined by X-ray crystallography and characterized by elemental analysis, IR spectrum and thermogravimetric analysis. It crystallizes in the monoclinic system, space group P21/n with a = 11.76, b = 10.41, c = 14.08A^°, β = 104.80°, V= 1666.0(3)A^°^3, Z = 4, Mr= 428.90, Dc= 1.710 g/cm^3, F(000) = 868,μ = 1.468 mm^-1 and S = 1.001. The 2-D layered gridding architecture of 1 is constructed from isophthalic acid and binuclear copper atoms. Hydrogen bonds and aryl ring π-π stacking interactions in 1 contribute to a supramolecular structure.  相似文献   

13.
Homobinuclear complex (HCuL)2 (1) (H3L: N-3-carboxylsalicylidene-N'-salicylaldehyde-1,2-diaminoethane) was obtained from self-organization of the reported complex HCuL, and its crystal structure was determined through X-ray diffraction at room temperature. The crystal of complex 1 belongs to monolinic system, the space group Cc, a=2.5326(5) nm, b=0.88861(18) nm, c=1.3738(3) nm, β=96.95(3)°, Z=4, R1=0.0520, wR2=0.1185. (HCuL)2 is a dimeric molecule and has extended phenolic oxygen-bridged structure. In addition, using mononuclear complex HCuL as building blocks, Cu(Ⅱ)-Mg(Ⅱ)-Cu(Ⅱ) heterotrinuclear complex 2 was synthesized, and its crystal structure also has been determined by X-ray analysis. The crystal of complex 2 is of monoclinic system, space group Pc, a=1.1816(2) nm, b=1.5599(3) nm, c=1.9642 (4) nm, β=98.22°, Z=2, R1=0.0701, wR2=0.1498. Each dissymmetricai cell unit of complex 2 contains two heterotrinucler neutral molecules: {[CuL(H2O)]Mg[CuL(CH3OH)]} and {[CuL]Mg[CuL(H2O)]}.  相似文献   

14.
A new copper(H) complex [Cu2(DMF)(H2O)(C7H4NO4)2(C7H3NO4)]2-3.5DMF has been synthesized and its structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1^- with a = 10.722(3), b = 18.170(4), c = 20.923(7)A,α = 105.297(9), β = 101.701(10), γ = 105.74(1)°, V= 3615(1)A^3, Z = 2, C58.50H64.50Cu4N1l.50O3150, Mr = 1686.90, Dc = 1.550 g/cm^3,μ= 1.255 mm^-1, F(000) = 1728.00, T = 150(2) K, the final R = 0.0640 and wR = 0.173 for 11310 observed reflections with I 〉 2σ(I). In the crystal, each formular unit consists of two dinuclear copper(H) compounds, between which the O-H…O hydrogen bonds exist. Each Cu^Ⅱ cation is six-coordinated in an octahedral geometry. The intermolecular hydrogenbonding interaction leads to a 3-D framework of the title compound.  相似文献   

15.
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 ℃.  相似文献   

16.
A mercury(Ⅱ) iodide complex with organosulfide [Hg(pymt)(pymtH)I] 1 (pymt = the anion of pyrimidine-2-thiolate) has been synthesized by slow evaporation of the solution at room temperature and structurally characterized by single-crystal X-ray diffraction. Basic ideas and data collected are given. X-ray diffraction analysis reveals that complex 1 is mononuclear. Crystallographic data: C8H7HgIN4S2, Mr = 550.79, monoclinic system, space group P21/c, a = 11.218(4), b = 9.551(3), c = 15.877(4) A^°, β = 129.697(15)°, V = 1308.9(7) A^°^3, Z = 4, Mr = 550.79, Dc = 2.795 g/cm^3, F(000) = 995, μ(MoKa) = 14.415 mm^-1, 2(MoKa) = 0.71073 A^°, T= 293(2) K, 2θmax = 54.9°, GOOF= 1.053, the final R = 0.0310 and wR = 0.0742 for 2547 observed reflections with I 〉 2σ(I) (refinement on F^2). Complex 1 is connected through hydrogen bonds to give a one-dimensional supramolecular chain structure. Furthermore, π-π interactions are also found between the pyrimidine rings with the center-to-center distances of 3.439(4) and 3.603(4) A^°, so complex 1 expands the chains into a two-dimensional network.  相似文献   

17.
The title complex, [Ce(BA)3phen]2 (BA = benzoate, phen = 1,10-phenanthroline), was prepared by the reaction of Ce(NO3)3.6H2O, benzoic acid and 1,10-phenanthroline. The complex was characterized by single-crystal X-ray diffraction, elemental analysis, IR spectra and TG-DTG techniques. The results show that the crystal is of triclinic, space group P1 with a = 10.912(2), b = 11.962(3), c = 12.474(3) A, α = 104.889(3), β = 93.523(3), γ = 113.332(3)^o, C66H46Ce2N4O12, Mr = 1366.90, V= 1420.2(6) ,A^3, Z = 1, Dc = 1.598 g/cm^3, μ = 1.652 mm^-1, S = 1.024 and F(000) = 682. The final R = 0.0391 and wR = 0.0947 for 4878 observed reflections with I 〉 2σ(I). The structure of the title complex consists of two Ce(C6HsCOO)3(C12H8N2) units, forming a binuclear molecule. Each Ce(Ⅲ) is coordinated by two O atoms of one bidentate chelating carboxylate group, five O atoms of two bidentate bridging and two tridentate chelating-bridging carboxylate groups, and two N atoms of one 1,10-phenanthroline molecule to complete a distorted monocapped square antiprism geometry. Its thermogravimetric analysis was determined by TG-DTG techniques.  相似文献   

18.
The hydrothermal reaction of Cd(OAc)2.H2O with 1,2-benzenedicarboxylate (1,2-BDC), imidazole and H2O resulted in the formation of a binuclear polymeric Cd( Ⅱ ) complex {[Cd2(1,2-BDC)2(Im)4].(H2O)}n which was then characterized by elemental analyses and single-crystal X-ray diffraction analysis. The crystal is of monoclinic system, space group P21/c with a = 14.6455(3), b = 9.3530(2), c = 23.7838(5)A, β= 106.6290(10)°, Cl12H104CdgN32O36, Mr = 3373.47, V = 3121.64(11)A^3, Dc = 1.795 g/cm^3, F(000) = 1672,μ= 1.428 cm^-1 and Z = 1. The final R = 0.0316 and wR = 0.0687 for 5045 reflections with I 〉 2σ(I). In the title complex, the two Cd( Ⅱ) ions are in different coordination environments with distorted octahedral and pengonal bipyramidal geometries, respectively. Two Cd polyhedra are linked together through one μ2-η^1:η^1 and one μ2-η^1:η^1 carboxylate groups from different 1,2-BDC ligands, giving rise to a binuclear Cd( Ⅱ ) cluster, and such clusters are connected by bridged 1,2-BDC ligands to form a 2-D structure along the c axis. The inter- and intermolecular hydrogen bonds further connect the 2-D structures into a 3-D supramolecular network.  相似文献   

19.
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.  相似文献   

20.
The hydrothermal reaction of copper chloride dihydrate and 5,5-dimethyl-imidazolidine,-2,4-dione with a mole ratio of 1:1 in acetonitrile resulted in the formation of a new acetate-bridged dinuclear copper complex, [C2H6ON]2[Cu2Cl2(μ-CH3COO)4]. Protonated acetamide in eaolie form and acetic acid were yielded by the hydrolysis of acetonitrile under hydrothennal condition. The rifle complex (C12H24Cl2Cu2N2O10) was characterized by X-ray single-crystal diffraction, IR spectrum, elemental and electrochemical analysis. It crystallizes in the monoclinic system, space group P21/c with a = 8.298004), b = 14.358(2), c = 12.0010(2) A^°, β= 130.620(3)°, V = 1085.3(2) A^°^3, Dc = 1.696 g/cm^3, 34, = 554.31, Z = 2, F(000) = 564 and μ = 2.254 mm^-1. The crystal structure consists of a tetraacetate-bridging dinulcear copper complex anion [Cu2Cl2(μ-CH3COO)4]^2-, with the chlorine anions in the axial positions, and two protonated acetamide cations [C2H6ON]^+, which were connected through hydrogen bonds to form a three-dimensional infinite network.  相似文献   

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