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1.
Abstract  The cobalt(II) complex, [Co(abz)2(SCN)2] 1, has been synthesized by the reaction of cobalt(II) nitrate with ammonium thiocyanate and abz ligands (abz = 2-aminobenzimidazole), and was fully structurally characterized by elemental analysis, IR spectra, X-ray diffraction and thermogravimetric experiments. It crystallizes in the triclinic P-1 space group with a = 8.6316(10), b = 9.3426(10), c = 13.254(2) ?, α = 95.793(2), β = 95.870(2), γ = 115.7380(10), V = 945.1(2) ?3, and Z = 2. The central cobalt(II) atom is four-coordinated to nitrogen donors from two neutral abz ligands and two isothiocyanate anions respectively, adopting a slightly distorted tetrahedral geometry. In addition, the intermolecular N–H···N and N–H···S hydrogen bonds interactions link the discrete mononuclear units into infinite three-dimensional networks. Index Abstract  The essence sentence of the paper: In the mixed-ligand mononuclear complex, [Co(abz)2(SCN)2], the four coordinated cobalt(II) atom exhibits a slightly distort tetrahedron, which is further assembled into 3D infinite network by intermolecular hydrogen interactions.   相似文献   

2.
Abstract  A new cadmium(II) complex [(C28H24N6)Cd(SCN)2]2(CH3OH)2 (1) has been synthesized and characterized by IR, UV spectra, TG-DTA technique and single crystal X-ray diffraction analysis. The crystallographic data for compound 1: triclinic P1ˉ, a = 9.630(2) Å, b = 11.123(3) Å, c = 15.396(4) Å, α = 106.93(1)°, β = 91.60(1)°, γ = 99.99(1)°, V = 1,548.5(6) Å3, Z = 1, Dc = 1.512 mg/m3, F(000) = 716, R 1 = 0.0332, wR 2 = 0.0907. The molecule contains a symmetrical dinuclear unit in which two Cd(II) ions are double bridged by two di-μ-1,3-SCN anoins with a cadmium–cadmium separation of 6.48 Å. Each Cd(II) ion is seven-coordinated with six nitrogen atoms and a sulfur atom to form a monocapped trigonal prism coordination geometry. In addition, the molecule is further connected by multiform intermolecular C–H···π, π···π interactions and hydrogen bonds to form a three-dimensional supramolecular structure. Graphical Abstract  A hepta-coordinated Cd(II) complex which exhibits a distorted a monocapped trigonal prism coordination geometry has been achieved by using bisbidentate Schiff-base ligand and thiocyanate anion.   相似文献   

3.
Abstract The crystal structure of a metallohybrid carboxylic acid obtained from the reaction of 1,3,5-benzenetricarboxylic acid (TCAH3) with copper(II)acetate monohydrate in the presence of pyridine (py) having composition Cu(py)2(TCAH2)2(H2O)2 [1] is reported. It crystallizes in triclinic space group P-1 and with a = 7.0110(3)?, b = 8.9523(5)?, c = 11.5370(5) ?, α = 79.776(3) °, β = 82.881(3)°, γ = 83.628(3)°, and V = 704.18(6)?3. The hydrogen bond in 1 is compared with the hydrogen bond pattern in the structure of 1,3-dicarbomethoxy 4,6-benzenedicarboxylic acid, which crystallizes in mononclinic space group P21/c and has unit cell parameters of a = 6.9549(16)?, b = 8.7676(15)?, c = 20.111(4)?; β = 92.585(17) ° and V = 1225.1(4) ?3. Index Abstract Crystal structure of a metallohybrid carboxylic acid obtained from the reaction of 1,3,5-benzenetricarboxylic acid with copper(II)acetate monohydrate in the presence of pyridine is determined and compared with hydrogen bond pattern present in the structure of 1,3-dicarbomethoxy 4,6-benzenedicarboxylic acid. Crystal structure of a metallohybrid acid of 1,3,5-benzenetricarboxylic acid of copper(II). Kusum Bania, Nilotpal Barooah, Rupam Sarma, Jubaraj B. Baruah  相似文献   

4.
Abstract  A new dinuclear hydrated nickel(II) tartrate has been isolated and structurally characterized by single-crystal X-ray diffraction. The title compound formulated as [Ni4(C4H4O6)4(H2O)8](EtOH)0.5(H2O)10.25 (C17H55.5Ni4O42.75) crystallizes in monoclinic system, space group P2(1)/c with a = 13.684(5), b = 17.143(6), c = 18.586(6) ?, β = 96.638(6)°, V = 4331(3) ?3, Z = 4. The unit cell contains two crystallographic independent dimeric units of [Ni2(C4H4O6)2(H2O)4] without significant structural difference, half of menthol molecule and ten and a quarter packing water molecules. In each dimeric unit, one (R,R)-tartrato dianion chelates two Ni(II) ions by the use of two hydroxy oxygen and two carboxyl oxygen atoms as donor atoms, and another tartrato dianion chelates the same pair of Ni(II) cations in the same way. Each Ni(II) atom is six-coordinated by six O atoms from two tartrate units and two water molecules. Index Abstract  The crystal structure of complex [Ni4(C4H4O6)4(H2O)8](EtOH)0.5(H2O)10.25 contains two crystallographic independent dimeric units of [Ni2(C4H4O6)2(H2O)4] without significant structural difference. In each dimeric unit, one (R,R)-tartrato dianion chelates two Ni(II) ions by the use of two hydroxy oxygen and two carboxyl oxygen atoms as donor atoms, and another tartrato dianion chelates the same pair of Ni(II) cations in the same way.   相似文献   

5.
Abstract  Two new complexes, [Cu(L)2(CH3OH)] · (ClO4)2 (1) and [Cu(L)2(H2O)] · (NO3)2 (2), have been synthesized and their crystal structures have been determined by X-ray analysis, where L = 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine]. The complex 1 crystallizes in the monoclinic, space group C2/c, and the coordination configuration of copper (II) is better described as trigonal pyramidal geometry with four N atoms from L and one Omethanol. The coordination configuration of 2 is quite similar to that of 1 except Owater instead of Omethanol. The intermolecular hydrogen bonds link the repeat units and extend the molecules to multinuclear structures in both compounds. The spectral properties of the title compounds have been studied and discussed. Furthermore, the antibacterial activities of the title compounds have been detected, the results indicate that the ligands and two copper(II) complexes exhibit certain fungicidal activities again several bacteria. Index Abstract  Two new complexes, [Cu(L)2(CH3OH)]·(ClO4)2 (1) and [Cu(L)2(H2O)]·(NO3)2 (2), have been synthesized and their crystal structures have been determined by X-ray analysis, where L= 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine. The intermolecular hydrogen bonds extend the molecules to multinuclear structures in both compounds.   相似文献   

6.
Abstract  A mixed-ligand complex Cu(IDA)(NBZIM)(H2O) (IDA = iminodiacetate dianion, NBZIM = 6-nitro-1H-benzimidazole) has been synthesized and characterized by elementary analysis, IR, UV-Vis, molar conductivity and single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P with a = 6.9423(14), b = 9.3100(19), c = 11.754(2) ?, α = 69.61(3), β = 85.87(3), γ = 83.87(3)°, Z = 2, R 1 = 0.0463 and ωR 2 = 0.0987. The single crystal X-ray analysis reveals that the Cu(II) atom is coordinated by one tridentate iminodiacetate dianion, one monodentate nitrobenzimidazole molecule and one water molecule, in a distorted square base pyramidal coordination geometry. The iminodiacetate dianion chelates the Cu(II) atom in the meridional mode. A three-dimensional network is formed by hydrogen bonds and stabilized by NBZIM π-π stacking interactions. The interaction of the complex with Fish sperm DNA has also been studied using absorption spectra. Index Abstract  In the crystal of Cu(IDA)(NBZIM)(H2O), each molecule is linked to other six neighbouring ones by ‘eight’ hydrogen bonds in four cases by means of the ‘symmetry related’ linkage.   相似文献   

7.
Two 1D polymeric complex, [Cu(CBC)2(Dabco)(H2O)] n (1) and [Ag2(HBC)2(Dabco)] n (2) have been synthesized and characterized by X-ray single crystal analysis, where CBCH is p-chlorobenzoic acid, HBCH 2 is 2-hydroxybenzoic acid and Dabco is 1,4-diazabicyclo[2.2.2]octane. Complex 1 has been obtained in high yield by hydrothermal synthesis from CuO and CBCH and Dabco, and complex 2 has been obtain by evaporation of the solvent from silver salicylate and Dabco, 1 crystallizes in the orthorhombic space group Pmn2 1 with a = 24.3310(5) ?, b = 6.9050(6) ?, c = 5.9980(5) ?, Z = 2, V = 1007.70(4) ?3 and Dx = 1.657 g cm−3, 2 crystallizes in the monoclinic space group P2 1 /m with a = 10.292(3) ?, b = 6.913(2) ?, c = 14.417(4) ?, β = 95.660(5), Z = 2, V = 1020.8(5) ?3 and Dx = 1.959 g cm−3. The final R value is 0.0302 for 1323 measured reflections for 1 and the final R value is 0.0684 for 1545 measured reflections for 2. The atomic arrangement is built by infinite one-dimensional polymeric chain in both complexes. These chains are cross-linked by hydrogen bonds involving the coordinated water molecules to form a two-dimensional framework in complex 1.  相似文献   

8.
合成了铜-钠混合金属配位聚合物 [(CuL)2(CH3OO)Na(H2O)4]2 (简写为1)并进行了元素分析和单晶X射线衍射分析,L为{2-(2′-酚基)- Δ 2-噻唑-4-羧酸}.晶体结构分析表明配合物形成Cu4Na2的六核混合金属大环.相邻的Cu4Na2环之间通过进一步的配位作用连结成包含更大的Cu8Na4大环的二维网状结构.该晶体属于三斜晶系Pī空间群,晶胞参数分别为:a = 1.0777(4) nm, b = 1.5221(6) nm, c = 1.6994(6) nm, α = 84.58(1)°, β = 76.31(1)°, γ = 89.97(1) °, V = 2.696 (2) nm3, Z = 2, Mr= 1447.26, dc = 1.783 g·cm-3, T = 293(2) K, μ = 1.816 mm-1, F(000) = 1472, R1 = 0.0794, wR2 = 0.1819 [I>2σ(I)].  相似文献   

9.
Abstract The title complex [Co2(bte)3(NCS)4(H2O)2] n (bte = 1,2-bis(triazol-1-yl)ethane) has been prepared. Single-crystal X-ray analysis reveals that the complex crystallizes in space group P ī with a = 7.7962(2), b = 8.3407(4), c = 14.7735(5) ?, α = 86.835(2), β = 76.2031(9), γ = 80.583(3)°. The crystal consists of two discrete complexes, [Co(bte)(NCS)2(H2O)2] and [Co(bte)2(NCS)2]. The structure of [Co(bte)(NCS)2(H2O)2] consists of neutral chain containing Co(II) bridged by bte molecules. The six-co-ordination of Co2+ is achieved by means of two trans NCS ions and water molecules. The structure of [Co(bte)2(NCS)2] demonstrates a one-dimensional neutral chain through bte-bridge, in which the Co(II) atom is in a distorted octahedral environment formed by four nitrogen atoms of the triazoles and two nitrogen atoms from two trans thiocyanato liagnds. Index abstract Synthesis and Crystal Structure of a Polymeric Cobalt(II) Complex with 1,2-bis(1,2,4-triazol-1-yl)ethane This paper reports the synthesis and crystal structure of complex [Co2(bte)3(NCS)4(H2O)2]n (bte = 1,2-bis(triazol-1-yl)ethane), which consists two different neutral chains containing Co(II) bridged by bte molecules.   相似文献   

10.
Abstract  The copper(II) complex [Cu(C5H4NCH2−N=CH–C6H3OCH3–O)Cl], (1) containing a new tridentate Schiff base ligand (LH), which is the 1:1 condensation product of 2-(aminomethyl)pyridine and o-vaniline, has been synthesised and characterized by IR and UV–Vis spectra. Structural investigation shows that 1 crystallizes to a monoclinic system, having space group P2(1)/c, a = 6.9634(7), b = 18.1209(19), c = 10.3448(11) ?, α = 90°, β = 103.97(2)°, γ = 90° and Z = 4. The coordination geometry around the copper atom is slightly distorted square planar, formed by the N2O donor set of the Schiff base and one Cl atom. The Cu–N(1), Cu–N(2), Cu–O(1) and Cu–Cl bond distances are 2.0114(14), 1.9414(14), 1.9147(12) and 2.2520(5) ?, respectively. Index Abstract  The copper(II) complex [Cu(C5H4NCH2−N=CH–C6H3OCH3–O)Cl], (1) containing a tridentate Schiff base ligand (LH), synthesised and characterized by IR and UV–Vis spectra. The central copper ion possesses a distorted square-planar geometry.   相似文献   

11.
Abstract The cadmium(II) complex [Cd(phba)2(bim)(H2O)2]n (1) (phba = 4-hydroxybenzoate, bim = 1,2-bis(imidazol-1-yl)ethane) has been synthesized and structurally characterized by X-ray diffraction analysis. It crystallizes in the monoclinic space group C2/c, a = 23.820(4) ?, b = 9.5331(14) ?, c = 11.1086(19) ?, β = 111.519(4)°, V = 2346.7(7) ?3, Z = 4. The coordination geometry of Cd(II) atom is distorted octahedral; it is coordinated by two nitrogen atoms from the imidazole rings of two symmetry-related bim molecules, and four oxygen atoms from two symmetry-related phba anions and two water molecules. The Cd(II) atoms are bridged by bim molecules to form a one-dimensional chain. Graphical abstract Synthesis and crystal structure of a one-dimensional chain cadmium coordination polymer bridged through 1,2-bis(imidazol-1-yl)ethane Yuping Zhang, Liyan Wang, Shouwu Wang, Baolong Li, Yong Zhang The cadmium(II) complex [Cd(phba)2(bim)(H2O)2]n (1) has been synthesized and structurally characterized by X-ray diffraction analysis. The coordination geometry of Cd(II) atom is distorted octahedral; it is coordinated by two nitrogen atoms from the imidazole rings of two symmetry-related bim ligands, and four oxygen atoms from two symmetry-related phba anions and two water molecules. The Cd(II) atoms are bridged by bim ligands to form a one-dimensional chain.  相似文献   

12.
The carboxylate-bridged dinuclear complex [Cd(-pmpa)(H2O)](ClO4)·H2O (1) (Hpmpa = bis(2-pyridylmethyl)amino-3-propionic acid) has been synthesized and structurally characterized by X-ray diffraction method. It crystallizes in the monoclinic system P2 1/n with a = 7.9678(6) Å, b = 17.5103(9) Å, c = 14.3147(9) Å, = 94.1030(10)°, V = 1992.0(2) Å3, Z = 4. The carboxylate group of the pmpa ligand adopts a bidentate bridging coordination mode, and the ligand acts as -bridge linking two cadmium(II) ions to form a dinuclear complex. Each cadmium atom is seven-coordinate, with a distorted pentagonal bipyramidal geometry. The cyclic voltammogram of 1 undergoes irreversible one-electron oxidation to the Cd(III) and reversible one-electron reduction to the Cd(I).  相似文献   

13.
The tetraazamacrocyclic copper(II) complex, [Cu(L)](ClO4)2 (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14.4.01.18.07.12]docosane), hydrolyzes DMF at room temperature. The formate anion which is one of the hydrolyzed species of DMF coordinates to the copper(II) ion to form [Cu(L1)(O2CH)](ClO4) · H2O (1). The crystals of the complex 1 were isolated and structurally characterized by a combination of analytical, spectroscopic, and crystallographic methods. In 1, the macrocyclic ligand contains two trans fused cyclohexane rings, and the coordination geometry about the copper(II) ion adopts a square pyramid with four equatorial nitrogen atoms from the macrocycle and an oxygen atom from the formato ligand with an uncoordinated perchlorate ion.  相似文献   

14.
Abstract These complexes have been characterized by X-ray crystallography, spectroscopic, and cyclic voltammetry. In 1, the copper(II) ion has a distorted square-pyramidal geometry with three nitrogen atoms of the dpa ligand and two oxygen atoms of the nitrate anions. The crystal structure of 2 shows that the copper(II) ions are bridged by tp anion to form a dinuclear complex, in which each copper(II) ion exhibits a distorted square-pyramid with three nitrogen atoms of the dpa ligand, water molecule, and the oxygen atom of the bridging tp ligand. Cyclic voltammetric data indicate that 1 undergoes irreversible one-electron oxidation to the CuIII and reversible one-electron reduction to the CuI, while 2 gives one reversible oxidation and two reversible and irreversible reduced processes. The electronic spectra and redox potentials of the complexes are influenced significantly by the anionic ligands. Graphical Abstract The reaction of [Cu(dpa)Cl2] with K(NO3)2 and Na2tp yields mononuclear and dinuclear copper(II) complexes [Cu(dpa)(NO3)2] (1) and [Cu2(dpa)2(H2O)2(μ-tp)](tp)·6H2O (2) (dpa = di-(2-picolyl)amine, tp = terephthalate).   相似文献   

15.
Abstract  The title compound, [Cu(C3H4N2)4(COO–(CH2)4–COOH)2] is a neutral complex and exist as a monomeric unit. The Cu atom occupies at the center of symmetry (0, 0.5, 0) with a distorted octahedral geometry. Imidazole nitrogens N1 and N6 (Cu1–N1 = 1.993(3) ?; Cu1–N6 = 2.008(3) ?) from two different imidazole group which are symmetrically disposed provides the square base and the long carboxylate oxygens (Cu1–O2 = 2.582(3) ?) from the protonated end of symmetrically oriented dibasic acid at the trans axial position. The adipate monoanion is in weak coordination with the metal center via monodentate fashion. The strong carboxylate-carboxylic acid intermolecular O–H…O interaction between the adjacent molecules is present in this structure as observed in the crystal structure of hexanedioic acid is noteworthy. In addition to the O–H…O H-bonding other molecular interactions such as N–H…O and C–H…O in packing generates a 3-D hydrogen bond network. Graphical Abstract  The title compound tetrakis imidazole Cu(II) diadipate is a neutral complex and exist as a monomeric unit with the metal atom occupies at the center of symmetry. Strong inter and intramolecular H-bonding interactions such as O–H…O, N–H…O and C–H…O in packing generates a 3-D hydrogen bond network.  相似文献   

16.
A mononuclear complex [Cu(L)(bip)2] (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo [14,4,01.18, 07.12]docosane; bip = 2-benzimidazolepropionate) has been synthesized and structurally characterized by X-ray crystal structure analysis. The crystals are monoclinic P2 1/n with a = 10.2990(2), b = 15.9400(3), c = 11.991(14) Å, = 101.92(7)°, V = 1926(2) Å3, Z = 2. The copper(II) coordination geometry exhibits an axially elongated octahedron with four nitrogen atoms from the macrocycle and two oxygen atoms from the bip ligands. The cyclic voltammogram of 1gives 2 one-electron waves corresponding to CuII/CuIII and CuII/CuI processes.  相似文献   

17.
Abstract  The zinc(II) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Zn(2-(2-hydroxyphenyl)benzimidazolate)2]·C2H5OH (· C2H5OH) has been synthesized and characterized by X-ray crystallography and photoluminescent analysis. The complex crystallizes in monoclinic space group P21/c with cell parameters a = 10.156(1) ?, b = 25.771(3) ?, c = 9.674(1) ?, α = 90°, β = 103.641(2)°, γ = 90°, Z = 4, V = 2460.4(4) ?3. The central Zn(II) is four-coordinate and has a tetrahedral geometry. The steady-state and time-resolved photoluminescent spectra for the title compound have also been studied. The emission property can be ascribed to ligand-centered charge-transfer transition (LCCT) with π → π* property. Index Abstract   A new co-crystal of Zn(II) complex of 2-(2-hydroxylphenyl)benzimidazole with ethanol solvate has been prepared, characterized by X-ray crystallography and fluorescent studies.   相似文献   

18.
A novel polymeric Gd2Cu3 complex of iminodiacetic acid (H2L1=NH{CH2COOH}2), namely, Gd2Cu3(L1)6, 1, has been synthesized and structurally characterized. In the title complex, the Gd3+ ion is nine-coordinated by six O atoms from three bidentate chelating carboxylate groups and three O atoms from three anti-anti bridging carboxylic groups of six L1 ligands; the Cu2+ ion is six-coordinated by four O and two N atoms from two chelating L1 ligands. Each pair of Gd(III) atoms is bridged by three L1 ligands, each of which also chelates with one copper(II) ion, thus forming a Gd2Cu3 cluster unit. Such cluster units are cross-linked by flexible L1 ligands into a three-dimensional coordination framework. The title complex crystallizes in the trigonal space group P-3c1 (No. 165) with a = b = 13.433(4), c = 14.770(6) Å; V = 2308(1) Å3; Dcalca = 1.859 g cm–3; Z = 2.  相似文献   

19.
Abstract The synthesis and crystal structure of a new Ni(II) complex of stoichiometry [Ni(phen)2(H2O)2](H2Or)2 · 2H2O, where phen is phenanthroline and H2Or is oratate monoanion, are reported. The complex [Ni(phen)2(H2O)2](H2Or)2 · 2H2O crystallizes in the monoclinic system with space group C2/c and cell parameters a = 16.1661(8) ?, b = 12.5669(7) ? and c = 16.4752(7) ?. The coordination around Ni(II) is a distorted octahedron with two phen ligands perpendicular to each other and two aqua ligands in cis- position. Orotate ions locate themselves out of the coordination sphere and bridge the [Ni(phen)2(H2O)2]2+ moieties through hydogen bonding with aqua ligands. The FT-IR spectrum of the complex and thermal decomposition behaviour are also briefly discussed. Graphical Abstract Diaquabis(phen)Ni(II) Complex with Vitamin B13 Counter-ions Dursun Ali K?se, Birgül Zümreoglu-Karan, Başak Koşar, Orhan Büyükgüng?r A new complex where Vitamin B13 monoanions act as counter ions and bridge the [Ni(phen)2(H2O)2]2+ units by hydrogen bonds is described CCDC deposition number is 606339.  相似文献   

20.
The two new complexes bromo(1,10-phenanthroline-N,N′)tris(2-cyanoethyl)phosphinocopper(I) and bromo(2,2′-bipyridine-N,N′)tris(2-cyanoethyl)phosphinocopper(I) were synthesized and their X-ray crystal structures were determined. The first complex crystallizes in the triclinic space group P-1 with the crystal cell parameters a = 7.7596(7) ?, b = 11.470(1) ?, c = 12.803(1) ?, α = 78.884(1)°, β = 79.759(1)°, γ = 86.867(1)°, V = 1100.0(2) ?3 and Z = 2. The second complex crystallizes in the orthorhombic space group Pbca with the crystal cell parameters a = 10.614(1) ?, b = 12.345(1) ?, c = 31.903(3) ?, V = 4180.3(7) ?3 and Z = 8. In both compounds, the copper(I) ion is four-coordinate with a distorted tetrahedral geometry. In the 1,10-phenanthroline complex, an intermolecular dipole–dipole interaction between two cyano groups stabilizes an unfavorable synclinal conformation of one cyanoethyl group of the phosphine ligand.  相似文献   

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