首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 62 毫秒
1.
Complexes of Cu(II) and Co(II) nitrates with 3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline (L0) of the composition [CuL 2 0 (NO3)2] (I) and [CoL 2 0 (NO3)2] · CH3CN (II) are synthesized and their crystal structures are determined by X-ray diffraction. The L0 ligand is coordinated to the metal atoms through the N atom in position 2 of triazole fragment. The coordination polyhedron of the Cu(II) atom is a square with two additional axial vertices, while that of the Co(II) atom is a tetrahedron with two additional vertices. The NO 3 ? groups in the structures of I and II perform similar anisobidentate function. Complexes I and II are studied by IR and electronic spectroscopy.  相似文献   

2.
A coordination compound of copper(II) valerate with nicotinamide, [CuL(C4H9COO)2]2 (I), has been synthesized, and its crystal structure has been determined by X-ray crystallography. The crystals of I are triclinic: a = 9.1245(9) Å, b = 9.8572(6) Å, c = 11.0944(9) Å, α = 73.51(1)°, β = 79.917(6)°, γ = 72.161(7)°, Z = 2, space group $P\bar 1$ . In the centrosymmetric binuclear molecule of I, the copper atoms (Cu...Cu′, 2.621 Å) are linked through four bidentate chelating valerate ligands (av., Cu-O 1.969 Å). The coordination polyhedron of the Cu atom is a tetragonal pyramid with the nitrogen atom of the pyridine ring in the apical position at a longer distance (Cu-N, 2.190 Å).  相似文献   

3.
Two copper(I) iodide complexes, [Cu4(Metu)6I4] (I) and [Cu8(Diaz)12I8] (II) (Metu = N-methylthiourea; Diaz = 1,3-diazinane-2-thione), have been prepared and their structures been determined by X-ray crystallography. The crystal structures show that complex I is a tetranuclear, while II is an octanuclear cluster, both having a Cu : S ratio of 2 : 3, characteristic of metallothioneins. In I, each of the four copper atoms is coordinated to three thiourea ligands and one iodide ion in a distorted tetrahedral mode adopting admantane-like structure. In II, four types of core arrangements are observed around copper(I), which include, Cu(μ-S2)I2, Cu(μ-S2)(μ-I)I, Cu(μ-S3)I, and Cu(μ-S3)S each having copper(I) tetrahedrally coordinated. The complexes were also characterized by IR and 1H and 13C NMR spectroscopy.  相似文献   

4.
Heteroligand binuclear complexes of CuCl with triphenylphosphine and 5-pyridine-2-yl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione (L1) of the compositions [CuCl(PPh3)(L1)]2 (I) and [CuCiL1]2 (II) are synthesized and studied by X-ray diffraction method. Crystals I are monoclinic; space group P21/n, a=8.9520(18) Å, b=18.926(4) Å, c=16.841(3) Å, β=94.96(3)°, Z=2. The Cu(I) atom has a quasi-tetrahedral surrounding involving the tetraphenylphosphine P atom, the pyridyl N atom of the molecule L1, and two bridging Cl atoms. Crystals II are monoclinic; space group P21/c, a=9.3520(19) Å, b=8.1490(16) Å, c=18.660(4) A, β = 104.43(3)°, Z = 2. Both L1 ligands in complex II act as bridges. The Cu(I) atom also has a quasi-tetrahedral surrounding formed by the Cl atoms, the pyridyl N atoms and thiol S atom of one L1 ligand, and the thione S atom of the second L1 ligand. Similar binuclear complexes with the bridging function of the L1 ligand were also detected in a solution of II by the ESI method.  相似文献   

5.
Heterometallic complexes [RuNO(NO2)4OHCuPy2(H2O)] (I) and [RuNO(NO2)4OHCuPy3] (II) are described structurally for the first time. In complex I, the ruthenium anion is coordinated to the copper atom by the bridging OH group and two bridging nitro groups; in complex II, by the bridging OH group and one bridging nitro group. Dimers are formed in the crystal lattice of complex II due to the interaction of the copper atom and the nitro group of the ruthenium anion in trans position to the bridging NO2 group.  相似文献   

6.
The crystal structures of nitrato-{4-bromo-2-[2-hydroxyethylimino)methyl]phenolo}-(3,5-dibromopyridine)copper (I) and nitrato-{2,4-dibromo-6-[(2-hydroxyethylimino)methyl]phenolo}-(3,5-dibromopyridine)copper (II) are determined. The crystals of compound I are orthorhombic: a = 14.157(3) Å, b = 15.420(3) Å, c = 17.494(4) Å, space group Pbca, Z = 8, R = 0.067. The crystals of compound II are monoclinic: a = 10.675 Å, b = 13.973 Å, c = 14.007 Å, β = 111.92°, space group P21/n, Z = 4, R = 0.0464. In the structures of compounds I and II, the copper atom coordinates, correspondingly, singly deprotonated 4-bromo-2-[(2-hydroxyethylimino)methyl]phenol and 2,4-dibromo-6-[(2-hydroxyethylimino)methyl]phenol molecules, and 3,5-dibromopyridine, and the nitrate ion. The coordination polyhedron of the copper ion in complexes I and II is a slightly distorted tetragonal pyramid. The bases of the pyramids are formed by the imine and pyridine nitrogen atoms and the phenolic and alcoholic oxygen atoms, and the axial vertices are occupied by the oxygen atoms of the monodentate nitrato groups. In the complexes under study, the six-membered metallocycles have asymmetric gauche conformation. In crystal, complexes I are united, due to the slip plane a, through bifurcate hydrogen bonds into infinite chains along the direction [100]. Complexes II in crystal form two-dimensional networks by means of hydrogen bonds.  相似文献   

7.
The molecular geometries of the complexes trans-[M(18-crown-6)(C5HO2F6)2] (where M = Ca, Sr, Ba (I), Zn, Cd, Sn, Pb (II), Fe, Co, Eu, and Yb) were modeled by the molecular mechanics method with fixed R(M-O) distances. The shielding degrees of the central metal atom in these complexes were calculated and the number and types of possible intermolecular contacts between their molecules in the structure were determined. The intermolecular interactions involve identical fragments (atoms) of the ligands: the CF3 groups of the hexafluoroacetylacetonate ligands and the methylene fragments of the crown ether. Previously unknown complex II and complex I were synthesized according to an original procedure. The structure and thermochemical properties (including sublimation by the Knudsen method) of complex II were studied. As in complex I, the metal cation in complex II is in the cavity of the macrocycle of the crown ether; the hexafluoroacetylacetonate ligands are trans relative to that cation. The presumed similarity of complexes I and II in thermochemical characteristics was confirmed experimentally. Both the complexes melt in close temperature intervals and sublime at the same temperature (~10?2 mm Hg) without decomposition. The enthalpies of sublimation of complexes I and II, as well as the entropy contributions to their volatilities, are equal to within the experimental error.  相似文献   

8.
The reaction of [Cd2{S2CN(CH2)6}4] (I) with morpholine gives a crystalline adduct of cadmium N,N-cyclo-hexamethylenedithiocarbamate [Cd{NH(CH2)4O}2{S2CN(CH2)6}2] (II), whose coordination sphere includes two molecules of the donor base. The structural organization and thermal behavior of II is studied by X-ray diffraction analysis and simultaneous thermal analysis in comparison with the original binuclear cadmium complex I. The central cadmium atom (coordination number 6) coordinates two morpholine molecules and two structurally equivalent S,S’-anisobidentate ligands HmDtc to form a chromophore [CdN2S4] with the structure of a distorted octahedron. The thermal destruction of II proceeds in two stages and includes consecutive steps of dissociation of the Cd-N bonds followed by the desorption of morpholine and thermolysis of the dithiocarbamate moiety of the adduct to form CdS as the final product. The structure of binuclear [Cd2{S2CN(CH2)6}4] is refined for a correct refinement of the geometric characteristics of compounds I and II.  相似文献   

9.
Complexes RbL (I) and [Li2(C2H5OH)L2] (II) (L = C23H15O3) have been synthesized and their crystal structures have been studied. Both compounds have monoclinic crystals with space group P21/c and Z = 4; I: a = 11.632(2) Å, b = 15.154(3) Å, c = 11.457(2) Å, β = 104.34(3)°; II: a = 12.982(3)Å, b = 12.083(2) Å, c = 25.317(5) Å β = 100.11(3)°. In the structure of I, dimeric groups [Rb2O6] with a shared edge are linked by the ligands to give infinite layers perpendicular to the x axis and cavities that form oblong channels. In the structure of II, Li2O7 dimers are formed by vertex sharing. The coordination of one of the lithium atoms (Li(1)) is completed to tetrahedral by the oxygen atom of the ethanol molecule. The structure of II, like that of I, is layered.  相似文献   

10.
The cyclophane ligand, 2,11-dithia[3.3](2,6)pyrazinophane (L), was synthesized by a simpler method and characterized by 1H NMR, which was used to synthesize coordination complexes by reactions with Cu+ (I) and Co2+ (II) cations. Single-crystal X-ray analysis revealed that the conformation of the ligand L is syn(boat-chair), while in I and II it adopts syn(boat-chair) and syn(chair-chair), respectively. In the former coordination compound, Cu(I) is coordinated with two nitrogen and one sulfur atom of the ligand. In the latter one, Co(II) is coordinated with two nitrogen and two sulfur atoms of the ligand. In complexes I and II, the formation of three-dimensional structure depends on π-π-stacking and hydrogen bonds.  相似文献   

11.
The [Cu2(L)2(H2O)4](ClO4)2 compound (I) have been synthesized by the reaction of 10-(1-phthalazinylazo)-9-phenanthrol (HL) with tetraamminecopper(II) perchlorate, and its crystal and molecular structure has been determined by X-ray crystallography. The L anion acts as a tridentate chelating ligand and is coordinated to the Cu atom through the O(1) atoms of the phenanthrenequinone moiety, the N(1) atom of the phthalazinyl moiety, and the N(3) atom of the azo group to form two five-membered chelate rings. The coordination polyhedron of each Cu(1,2) atom is completed to a prolate tetragonal (4 + 1) pyramid by two water molecules with the O(2)(H2O) atom in the axial position. The molecular and electronic structures of the HL molecule and [Cu(L)(H2O)2]+ ion have been determined by the density functional theory method. The results of quantum-chemical calculation are shown to fit well to the values found by X-ray crystallography.  相似文献   

12.
New copper(II) complexes, [Cu2L1L2] · ClO4 (I) and [Ni(L3)2] (II), where L1 is the monoanionic form of 2-[1-(2-emthylaminoethylimino)ethyl]phenol, L2 is the dianionic form of N,N′-ethylene-bis(2-hydroxyacetophenonylideneimine), L3 is the mono-anionic form of 2-(1-iminoethyl)phenol, were prepared and characterized using elemental analysis, FT-IR spectroscopy, and X-ray single-crystal diffraction. In complex I, the Cu(1) atom is coordinated by the NNO tridentate ligand L1 and the two phenolate O atoms of L2, forming a square pyramidal geometry. The Cu(2) atom in complex I is coordinated by the NNOO tetradenate ligand L2, forming a square planar geometry. The Ni atom in complex II is coordinated by two phenolate O and two imine N atoms from two ligands L3, forming a square planar geometry. In the crystal structure of I, the perchlorate anions are linked to the dinuclear copper(II) complex cations through intermolecular N-H...O hydrogen bonds. In the crystal structure of II, the mononuclear nickel complex molecules are linked through intermolecular N-H...O hydrogen bonds, forming a trimer.  相似文献   

13.
Coordination compounds [Cd1.5I3(HMTA) · H2O] (I) and [CdI2(HMTA) · H2O] (II) are synthesized by the reaction of CdI2 with hexamethylenetetramine (HMTA, C6H12N4) with the 1: 1 ratio in ethanol, and their structures are determined. The crystals of compound I are triclinic, space group P $ \bar 1 $ , a = 8.027(1), b = 9.391(1), c = 10.382(1)?, ?? = 66.64(1)°, ?? = 86.18(1)°, ?? = 73.63(1)°, V = 749.2(1) ?3, ??calcd = 3.136 g/cm3, Z = 2. The crystals of compound II are triclinic, space group P $ \bar 1 $ , a =7.713(1), b = 8.192(1), c = 12.101(1)?, ?? = 80.32(1)°, ?? = 89.57(1)°, ?? = 7.30(1)°, V = 725.0(1) ?3, ??calcd = 2.402 g/cm3, Z = 2. Structure I includes two types of cadmium complexes. The Cd(1) atom is coordinated through the octahedral mode by three pairs of the I, N(HMTA), and O(H2O) atoms. The coordination polyhedron of the Cd(2) atom is a distorted tetrahedron (three I atoms and one N atom). The structure contains infinite strips consisting of tetranuclear cyclic fragments joined by the Cd(1) atoms due to the bridging iodine and nitrogen atoms. In structure II, the Cd atom is coordinated through the tetrahedral mode by two iodide ions and the N(HMTA) and O(H2O) atoms. The interaction between the complexes occurs due to hydrogen bonds O-H??N to form supramolecular chains along the direction [010]. In each HMTA molecule, one of four nitrogen atoms is a proton acceptor in the hydrogen bonds, one nitrogen atom is coordinated, and two N atoms are terminal. Compound II in the solid state has photoluminescence with maxima at 443, 470, and 518 nm.  相似文献   

14.
The crystal structures of (μ-4,4-bipyridine)-di(nitrato-1-[(2-hydroxyethylimino)methyl]naphthalen-2-olocopper (I) and catena-di(μ-4,4’-bipyridine)di(μ-4,4’-bipyridine)-di(nitrato-2-[2-(hydroxyethylimino) methyl]phenolocopper)diaquacopper(II) nitrate (II) were determined. In the crystal of I, each of the two copper atoms coordinates a singly deprotonated tridentate azomethine molecule, a nitrate ion, and bipyridine, which functions as a bridge between the central atoms. The copper coordination polyhedron is a slightly distorted tetragonal pyramid with the base formed by the imine and bipyridine nitrogen atoms and the phenol and alcohol oxygen atoms. The axial site in the pyramid is occupied by the oxygen atom of the monodentate nitrate groups. In the trinuclear structure II with C2 crystal chemical symmetry, the terminal coordination unit is composed through copper coordination of monodeprotonated 2-[2-(hydroxyethylimino)methyl]phenol, bipyridine, and the nitrate anion. In the crystal, the trinuclear molecules form infinite ribbons along the z axis in which the pyridine molecules perform the bridging function. The central copper atom has an octahedral configuration formed by the nitrogen atoms of four 4,4’-bipyridine molecules and oxygen of two water molecules.  相似文献   

15.
New heteroligand Cu(II) and Zn(II) complexes with the α-naphthylacetic acid anion (NAA) and monoethanolamine (MEA), [M(NAA)2(MEA)2] (M = Cu2+, (I), Zn2+ (II)), are synthesized. The crystal structures of the obtained complexes are determined by X-ray diffraction analysis (CIF files CCDC 984097 (I) and 930946 (II)). The crystals are monoclinic, for I: a = 18.8140(9) Å, b = 4.82500(14) Å, c = 16.0360(7) Å, β = 115.135(6)°, V = 1317.87(11) Å3, space group P21/c, Z = 2; for II: a = 32.9760(14) Å, b = 5.0911(3) Å, c = 15.7994(10) Å, β = 94.418(5)°, V = 2644.6(3) Å3, space group C2/c, Z = 4. In the structure of complex I, the Cu2+ ion arranged in the symmetry center is coordinated at the vertices of the distorted octahedron by the oxygen atoms of two NAA molecules (Cu-O(2) 2.019(4) Å) and two MEA molecules. The latter is the bidentate-chelating ligand and coordinates the metal through the O and N atoms to form the five-membered metallocycle (Cu-O(3) 2.457(5), Cu-N(1) 1.986(5) Å). In complex II, the Zn atom (on axis 2) is coordinated at the vertices of the distorted tetrahedron by the oxygen atoms of two NAA molecules (Zn-O(2) 1.976(4) Å) and the nitrogen atoms of two MEA molecules (Zn-N 2.034(6) Å). The character of the interaction of coordinated NAA and MEA ligands and methods for packing complexes I and II are considered on the basis of the structural data.  相似文献   

16.
Copper(II) salts were reacted with various quinoline aldehyde chalcogensemicarbazones to yield compounds formulated as Cu(HL)X2 · nH2O (I: HL = quinoline aldehyde thiosemicarbazone (HL1), X = ClO4, n = 2; II: HL = quinoline aldehyde 4-C2H5-thiosemicarbazone (HL1a), X = NO3, n = 0; III: HL = quinoline aldehyde semicarbazone (HL2), X = ClO4, n = 3 and IV: HL = quinoline aldehyde 4-Ph-semicarbazone (HL2a), X = NO3, n = 1). Regardless of the reagent ratio, the products were compounds having the metal: ligand ratio of 1: 1, where the organic ligand was coordinated tridentate in a molecular form. Single-crystal X-ray diffraction showed that, depending on the chalcogen atom in the organic ligand (S or O), the substituent in the 4th position (at the terminal nitrogen atom), and the specifics of the acido ligand, complexes I–IV had appreciably differing molecular structure organizations. The structures of I and III are formed by a 1D charged coordination polymer, ClO 4 ? anions, and water molecules and may be described by the formula [Cu(HL)(H2O)(ClO4)] n (ClO4) n · nH2O. Copper(II) coordination polyhedra in I and II are (4 + 2) and (4 + 1 + 1) tetragonal bipyramids, respectively. In II and IV, the structures are monomeric and can be described as [Cu(HL1a)(NO3)2] with the metal coordination polyhedron shaped as a (4 + 1) tetragonal pyramid in II and as [Cu(HL2a)(H2O)(NO3)](NO3) with the metal coordination polyhedron shaped as a (3 + 2) trigonal bipyramid in IV. The structure of II is built of molecular complexes, each comprising, apart from ligand HL1a, two monodentate coordinated NO 3 ? groups. The oxygen atom of one anion together with the NNS donor atom set of ligand HL1a form the base, and the oxygen atom of the other anion is in the apex of the coordination polyhedron. In IV, the structure is ionic and built of NO 3 ? anions and [Cu(HL2a)(H2O)(NO3)]+ complex cations, where a cationic coordination polyhedron has a trigonal-bipyramidal configuration with organic ligand HL2a positioned along the long edge. The bipyramidal base is made up by the oxygen atoms of the coordinated water molecule and monodentate nitrato group and the nitrogen atom N2 of the azomethyne group.  相似文献   

17.
A novel proton transfer compound (H2Ppz)(HDipic)2 (I) obtained from 2-(piperazin-1-yl)ethanol (Ppz) and pyridine-2,6-dicarboxylic acid (H2Dipic) and its Cu(II) complex (H2Ppz)[Cu(Dipic)2] · 6H2O (II) have been prepared and characterized by elemental, spectral (1H and 13C NMR, IR and Uv-Vis) and thermal analyses. Magnetic measurement and single crystal X-ray diffraction methods have also been applied for compound II. The molecular structure of II consists of one 1-(2-hydroxyethyl)piperazine-1,4-diium cation, one bis(pyridinium-2,6-dicarboxylate)Cu(II) anion and six uncoordinated water molecules. In complex II, the copper ion coordinates to two oxygen and one nitrogen atoms of two pyridine-2,6-dicarboxylate molecules forming an octahedral conformation. Furthermore, the synthesised compounds (I and II) were screened for their antimicrobial activities against Gram (?) (Escherichia coli and Pseudomonas aeruginosa) and Gram (+) (Staphylococcusaureus and Bacillus cereus). The results were reported, discussed and compared with the corresponding starting materials (H2Dipic and Ppz).  相似文献   

18.
Two mononuclear five-coordinated transition metal complexes FeLCl2 (I) and MnLCl2 (II) containing tridentate 2,6-bis(6-methylquinolin-2-yl)pyridine ligand (L) have been synthesized and characterized by single-crystal X-ray crystallography. In the complexes, the metal center was tridentately chelated by ligand and further coordinated by two chlorine atoms, resulting in distorted trigonal-bipyramidal geometry for complex I and II, respectively. In addition, crystal packing in complex is stabilized by C-H?Cl intermolecular hydrogen bond, which link the mononuclear complex to the 1D chain.  相似文献   

19.
An end-to-end azido-bridged dinuclear copper(II) complex [Cu2L21,3-N3)](NO3) (I) and a mononuclear zinc(II) complex [ZnCl2(HL)] ? CH3OH (II), where L is 2-brom-4-chloro-6-[(2-morpholin- 4-ylethylimino)methyl]phenolate, have been prepared and characterized by elemental analyses, IR, and single crystal X-ray crystallographic determination (CIF files CCDC nos. 1415217 (I), 1415218 for (II)). The crystal of I is monoclinic: space group C2/c, a = 28.684(2), b = 7.1787(5), c = 18.292(1) Å, β = 117.887(3)°, V = 3329.1(4) Å3, Z = 4. The crystal of II is monoclinic: space group P21/c, a = 10.8207(9), b = 12.3398(7), c = 14.9477(7) Å, β = 93.473(3)°, V = 1992.2(2) Å3, Z = 4. The Schiff base ligand in I coordinates to the Cu atom through the phenolate O, imine N, and morpholine N atoms, while the Schiff base ligand in II coordinates to the Zn atom through the phenolate O and imine N atoms, with the morpholine N atom protonated. The effect of these complexes on the antimicrobial activity against Staphylococcus aureus, Escherichia coli, and Candida albicans was studied.  相似文献   

20.
Two complexes of formulas [Zn(Hfac)2(IM-IMH-Bph)] (I) and [Co(Hfac)3](IM-Bph) (II), where IM-Bph = 2,2′-bis(1′-oxyl-4′,4′,5′,5′-tetramethylimidazoline-2′-yl)-bis(2-formylphenyl) ether; Hfac = hexafluoroacetylacetonate, have been synthesized and characterized by single-crystal X-ray diffraction. The X-ray analysis demonstrates that both I and II are mononuclear complexes. In I, each zinc ion is five-coordinated with four oxygen atoms from two Hfac ligands and one oxygen atom from nitroxide. Complex II contains one Co(III) atom with six oxygen atoms from three Hfac ligands and uncoordinated IM-Bph diradical, in which the Co2+ ion and NIT-Bph biradical can undergo the redox reaction.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号