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1.
The title compound, [Cu3(dmpzm)4(μ-1,3-dca)2(dca)4]·2H2O (dmpzm = 1,1'-methylenebis(3,5-dimethyl-lH-pyrazole), dca = dicyanamide) 1·2H2O, was synthesized via the reaction of CuCl2·2H2O with dmpzm and Na(dca), and characterized by elemental analysis and IR spectra. 1·2H2O crystallizes in the monoclinic system, space group C2/m with a = 13.578(3), b = 16.769(3), c = 14.769(3) A, β = 104.10(3)° V = 3261.4(11) A^3, Z = 2, Dc = 1.466 g/cm^3, T = 153(2) K, C56H68N34O2Cu3, Mr = 1440.09, F(000) = 1490,μ(MoKa) = 1.040 mm^-1, S = 1.150, R = 0.0553 and wR = 0.1123 for 2744 observed reflections with I 〉 2σ(I). The central copper atom is chelated by two dmpzm ligands and coordinated by two bridging dca anions, forming a slightly distorted octahedral geometry. The two external copper atoms adopt a square-pyramidal coordination geometry, coordinated by one chelating dmpzm ligand and one bridging and two terminal dca anions. Two intermolecular hydrogen bonding interactions result in the formation of a 2D (4,4) hydrogen-bonded network.  相似文献   

2.
The title compound, [Cu3(dmpzm)4(μ-1,3-dca)2(dca)4]·2H2O (dmpzm = 1,1'-methyle- nebis(3,5-dimethyl-1H-pyrazole), dca = dicyanamide) 1·2H2O, was synthesized via the reaction of CuCl2·2H2O with dmpzm and Na(dca), and characterized by elemental analysis and IR spectra. 1·2H2O crystallizes in the monoclinic system, space group C2/m with a = 13.578(3), b = 16.769(3), c = 14.769(3)(A),β=104.10(3)°, V = 3261.4(11)(A)3, Z = 2, Dc = 1.466 g/cm3, T = 153(2) K, C56H68N34O2Cu3, Mr = 1440.09, F(000) = 1490, μ(MoKα) = 1.040 mm(1, S = 1.150, R = 0.0553 and wR = 0.1123 for 2744 observed reflections with I > 2σ(I). The central copper atom is chelated by two dmpzm ligands and coordinated by two bridging dca anions, forming a slightly distorted octahedral geometry. The two external copper atoms adopt a square-pyramidal coordination geometry, coor- dinated by one chelating dmpzm ligand and one bridging and two terminal dca anions. Two inter- molecular hydrogen bonding interactions result in the formation of a 2D (4,4) hydrogen-bonded network.  相似文献   

3.
Reaction of COC12.6H20 with equimolar bis(3,5-dimethylpyrazolyl)methane (dmpzm) produced a mononuclear adduct [Co(dmpzm)Cl2] (1). Treatment of 1 with sodium dicyanamide (dca) afforded a polymeric complex [Co(dmpzm)(μ-dca)2]∞ (2). 1 and 2 were characterized by elemental analysis, IR spectra, thermogravimetric analysis and single-crystal X-ray diffraction. The cobalt atom in 1 adopts a distorted tetrahedral coordination geometry, bound to two N atoms of one dmpzm and two Cl atoms. Complex 2 has a 2D brick-wall network (extended along the bc plane) in which the { [Co(dmpzm)(μ-dca)]2} n^2n+ chains are interconnected by pairs of μ-dca anions along the c axis. The magnetic properties of 1 and 2 were also investigated.  相似文献   

4.
A new complex, [Ni(L)2]·2(H2O) I (HL = 2-iminomethyl-6-methoxyphenol), has been synthesized and structurally determined. The crystal belongs to the trigonal system, space group R3- with a = 1.9341 (3), b = 1.9341 (3), C = 1.2048(2) nm, V = 3.9029(11) nm^3, Mr = 395.05, Z = 9, Dc = 1.513 g·cm^-3, F(000) = 1854,μ= 1.153 mm^-1 and S = 1.014. Each Ni^Ⅱ atom is four-coordinated by two N and two O atoms from two different L anions to give a slightly distorted square-plane geometry. The complex forms a 3-D network structure through N-H...O and O-H...O hydrogen bonds containing an interesting six-membered water ring.  相似文献   

5.
ZHAO Xiao-Fan 《结构化学》2008,27(7):853-857
A novel end-to-end azido-bridged polynuclear Schiff-base copper(II) complex, [Cu(C12H15Br2N2O)(N3)]n, was prepared and characterized by elemental analysis, IR spectra, and single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbcn with a = 24.588(5), b = 10.377(2), c = 13.022(3) A, V= 3322.6(12) A^3, Z = 8, Dc = 1.874 g/cm^3, Mr = 468.65, λ(MoKa) = 0.71073 A,μ = 6.130 mm^-1, F(000) = 1832, R = 0.0637 and wR = 0.1176. The Cu atom in the complex is five-coordinated in a square pyramidal geometry by three donor atoms of the Schiff-base ligand, and two N atoms from two bridging azide ligands. The [2,4-dibromo-6-[(3-dimethylaminopropylimino)methyl]phenolato]copper(II) units are linked by the bridging azide ligands, giving zigzag polymeric chains with backbones of the [--Cu-N-N-N--Cu]n type running along the b axis.  相似文献   

6.
杨燕  曾明华  张来军  梁宏 《结构化学》2009,28(7):785-788
A novel tetranuclear zinc(H) coordination polymer [Zn4(o-bda)a(p-pbim)4]n 1 (p-pbim = 4-pyridylbenzimidazole, o-bda2 = o-phenylenediacetic acid dianion) has been synthesized by a hydrothermal method and characterized by elemental analysis, IR and X-ray singlecrystal diffraction. The title complex crystallizes in monoclinic, space group of P21/n with α = 14.231(1), b = 16.257(1), c = 16.794(1) ]k, β = 100.26(1)°, V = 3823.1(2)A3, Z = 8, Dc = 1.573 g/cm^3,β = 1.321 mm^-1, F(000) = 1856, R = 0.0420 and wR = 0.111. The Zn(1) atom assumes a distorted trigonal bipyramidal geometry, involving three carboxyl O atoms from two different o-bda ligands and two N atoms from two p-pbim ligands. The Zn(2) atom is coordinated by two oxygens from two distinct bda2- anions and two nitrogen atoms from two p-pbim ligands to form a distorted tetrahedral geometry. The Zn(Ⅱ) atoms are alternately interlinked by o-bda ligands in bis-monodentate or chelating-bidentate and monodentate modes into one-dimensional undulate chains along axis c with the adjacent Zn…Zn distances of 8.32 and 8.47 A. Such neighboring chains are further extended into a 1D bi-chain structure with two different subrings A and B, which are 32- and 14-membered rings through interchain p-pbim ligands. There exists a 2D supramolecular network linked by intermolecular hydrogen-bonding interactions between the uncoordinated carboxylate 0(4) atom or coordinated carboxylate 0(7) atom and the uncoordinated imidazolyl N(2) and N(5) atoms with the O...N distances to be 2.695 and 2.807A.  相似文献   

7.
The new cadmium(II) coordination polymer [Cd(bte)2(dca)2]n 1 (bte = 1,2-bis(1,2,4- triazol-1-yl)ethane, dca = dicyanamide) was synthesized and characterized by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 8.7148(15), b = 8.6142(17), c = 15.204(3) A, β = 92.100(10)o, V = 1140.6(4) A3, Z = 2, Mr = 572.87, Dc = 1.668 g/cm3, F(000) = 572, μ = 1.004 mm-1, the final R = 0.0654 and wR = 0.1429 for 1737 observed reflections (I > 2σ(I)). The cadmium atom is coordinated equatorially by four nitrogen atoms from four bte ligands and axially by two nitrogen atoms from two dca anions to adopt a distorted octahedral geometry. Each bte molecule bridges two cadmium(II) atoms. Two strands of bte molecules are wrapped around each other, and held together by cadmium(II) atoms. 1 Forms a double chain structure containing eighteen-membered Cd2(bte)2 rings.  相似文献   

8.
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.  相似文献   

9.
The copper(II) compound [Cu(Brzhama)(DMF)]2 (C22H24Br4Cu2N4O10S2, Br2hamaH2 = [(3,5-dibromo-2-hydroxybenzylidene)-amino]-methanesulfonic acid, DMF = N,N'-dimethylformamide) 1 crystallizes in trictinic, space group P1 with a = 8.477(2), b = 10.164(2), c = 10.671(2)A, α= 112.66(3), β = 104.33(3), γ = 96.67(3)°, Z = 1, and R = 0.0789 for 1823 observed reflections with I 〉 2σ(I). The centrosymmetric molecule comprises a pair of copper atoms connected by two anions of [(3,5-dibromo-2-hydroxybenzylidene)-amino]-methanesulfonic acid in a tetradentate coordination mode. The five-coordination of copper(II) is further completed by DME The complex forms a 1-D chain through C-H…π hydrogen bonds. The Cu^II…Cu^II distance is 4.937(1) A.  相似文献   

10.
A new dinuclear copper complex, [Cu(C13H9N2O)Cl]2·(CH3CN)2 (C30H24Cl2Cu2N6O2),has been synthesized and characterized by X-ray structure determination. It crystallizes in the triclinic system, space group P1-, with a = 7.6677(14), b = 9.2375(17), c = 11.227(2) (A), α = 81.338(3),β= 88.173(4), γ = 66.199(3)°, V = 718.9(2) (A)3, Z = 1, Mr = 698.53, F(000) = 354, Dc = 1.613 g/cm3,μ(MoKα) = 1.705 mm-1, the final R = 0.0645 and wR = 0.1364 for 2474 unique reflections with 1809 observed ones (I> 2σ(Ⅰ)). In the title complex, each copper(Ⅱ) atom is located at the center of a distorted tetrahedron consisting of four coordinate atoms (one nitrogen atom, two oxygen anions,and one chlorine atom). Two copper(Ⅱ) atoms are bridged by two oxygen anions (O(1) and O(1a)) of two phenolates to form a Cu(Ⅱ)-Cu(Ⅱ) binuclear entity, and the distance between two copper(Ⅱ)atoms is 3.0144(15) (A).  相似文献   

11.
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   

12.
A new dinuclear copper complex, [Cu(C13H9N2O)Cl]2·(CH3CN)2 (C30H24Cl2Cu2N6O2), has been synthesized and characterized by X-ray structure determination. It crystallizes in the tricli- nic system, space group P1, with a = 7.6677(14), b = 9.2375(17), c = 11.227(2) , α = 81.338(3), β = 88.173(4), γ = 66.199(3)o, V = 718.9(2) 3, Z = 1, Mr = 698.53, F(000) = 354, Dc = 1.613 g/cm3, μ(MoKα) = 1.705 mm-1, the final R = 0.0645 and wR = 0.1364 for 2474 unique reflections with 1809 observed ones (I > 2σ(I)). In the title complex, each copper(II) atom is located at the center of a distorted tetrahedron consisting of four coordinate atoms (one nitrogen atom, two oxygen anions, and one chlorine atom). Two copper(II) atoms are bridged by two oxygen anions (O(1) and O(1a)) of two phenolates to form a Cu(II)–Cu(II) binuclear entity, and the distance between two copper(II) atoms is 3.0144(15) .  相似文献   

13.
ABSTRACT A new 4-chlorobenzoic acid bridge Co(Ⅱ ) complex [[Co2(2,2'-bpy)2(μ-L)e(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)A3, Mr = 1070.45, Dc = 1.540 g/cm3, Z = 4, p = 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-HaO)] 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.  相似文献   

14.
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   

15.
A new dinuclear copper(Ⅱ) complex, [Cu(L)(py)]2 1 (H2L = N-(2-hydroxybenzyl)- salicylaldimine, py = pyridine), has been synthesized and characterized by elemental analysis, IR and UV spectra. 1 crystallizes in space group P2 1/n with a = 8.2106, b = 10.715, c = 17.864A, β = 99.365°, V = 1550.7A3, Z = 4, C19H16CuN2O2, Mr = 367.88, Dc = 1.576 g/cm3,μ(MoKα) = 1.422 mm-1, F(000) = 756, the final R = 0.0280 and wR = 0.0746. Complex 1 is a centrosymmetric dimer with two copper(H) centers, two py ligands and two L2- ligands. Each L2- ligand donates its azomethine nitrogen and one of the phenolate groups to one copper(Ⅱ) ion and shares the other phenolate group between the two copper(H) ions, affording a Cu2O2 plane. Each copper(Ⅱ) center has a slightly distorted square pyramidal geometry with a bridging phenolate group at the apex. Magnetic studies suggest the presence of a weak ferromagnetic interaction Via two phenoxo bridges. The magnetic susceptibility data (2-300 K) of complex 1 were analyzed by means of H = -2JS1S2 -DSz. The least-squares fitting of the data to the theoretical equation leads to J = 10.3 cm-1, g = 2.03, D = 0.67 cm-1 and R = ∑(Xobsd -Xcalcd)2/∑Xobsd2= 2.76 × 10^-3.  相似文献   

16.
Reaction of AgAc with bzdmpymtH in MeOH resulted in the title compound [Ag(bzdmpymt)]6-2MeOH (1.2MeOH), which was structurally characterized by elemental analysis, IR, and single-crystal X-ray diffraction analysis. 1.2MeOH belongs to the triclinic system, space group Pi, with a = 10.930(2), b = 11.646(2), c = 16.794(3)A, a = 103.97(3), β = 97.07(3), γ = 97.94(3)°, V = 2027.2(7) A3, Z = 1, μ = 1.629 mm^-1, Dc = 1.710 mg/m3, T = 193(2) K, CsoH86Ag6N12O2S6, Mr = 2087.25, F(000) = 1044, S = 1.034, R = 0.0355 and wR = 0.0709. In 1.2MeOH, six silver(I) atoms are held together by six bzdmpymt ligands through N and S atoms to form a water-wheel-shaped structure. Each Ag atom is coordinated by two S atoms from two bzdmpymt ligands and one N atom from the third bzdmpymt ligand, giving a trigonal planar coordination geometry. Interactions between the CH3 group of bzdmpymt ligand and one pyrimidyl nitrogen atom in an adjacent molecule afford a one-dimensional hydrogen-bonding chain running along the b axis. The luminescent property of 1.2MeOH was also investigated.  相似文献   

17.
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   

18.
A new mononuclear Cu(II) complex, [Cu(L)] (H2L = 4,4′,6,6v-tetrabromo-2,2′- [ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized. X-ray crystal structure 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)°, C16n10Br4CuN2O4, Mr = 677.44, V = 1859.6(5) A3, 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 〉 2σ(/). 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)°.  相似文献   

19.
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   

20.
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.  相似文献   

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