基于1,2,4-苯三酸与[2,3-f]吡嗪并[1,10]菲咯啉配体的钴髤及镉髤配合物的水热合成与晶体结构(英文)

利用水热技术,合成了2个新的配合物{[Co(Hbtc)(Pyphen)(H2O)].H2O}n(1)和{[Cd2(btc)(Pyphen)2Cl].2H2O}n(2)(H3btc=1,2,4-苯三酸,Pyphen=[2,3-f]吡嗪并[1,10]-菲咯啉),并通过X-射线单晶衍射、元素分析、热重分析和荧光进行了表征。配合物1属三斜晶系,空间群P1,a=0.643 44(13)nm,b=1.202 9(2)nm,c=1.371 6(3)nm,α=95.03(3)°,β=90.46(3)°,γ=103.54(3)°,V=1.027 7(4)nm3,Z=2,CoC23H16N4O8,Mr=535.31,Dc=1.730 g.cm-3,μ(Mo Kα)=0.900 mm-1,F(000)=546,GOOF=1.089,R=0.099 2,wR=0.249 0;配合物2属三斜晶系,空间群P1,a=0.968 93(8)nm,b=1.223 82(10)nm,c=1.592 21(14)nm,α=67.486 0(10)°,β=73.158 0(10)°,γ=78.468 0(10)°,V=1.660 9(2)nm3,Z...     

二维网状Pd(Ⅱ)配合物的合成、晶体结构及电化学性质(英文)

A novel palladium(Ⅱ) complex [Pd(H2bpdc)Ala]Cl·3H2O (where H2bpdc is 2,2′-bipyridine-3,3′-dicar- boxylic acid and Ala is L-alanine) has been synthesized and characterized by IR spectra and elemental analysis. The crystal structure of the complex has been determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic system, space group P1 with a=0.685 5(2) nm, b=0.988 4(4) nm, c=1.349 6(4) nm, α=98.375(8)°, β= 97.900(15)°, γ=90.118(15)°, V=0.895 9(5) nm3, Z=2. In the molecule, Pd(Ⅱ) atom is four-coordinated and located at the centre of a planar quadrangle. The complex is assembled via intramolecular π-π stacking interactions and hydrogen bonds, which forms 2D network. The cyclic voltammetric behavior of the complex was also investigated.     

Synthesis,Crystal Structure and Magnetic Behavior of a New Manganese(Ⅱ) Coordination Polymer [Mn(DPPZ)(PZDC)(H_2O)] (DPPZ=Dipyrido[3,2-a:2',3'-c]-phenazine and H_2PZDC=Pyrazine-2,3-dicarboxylic Acid)

The title complex, [Mn(DPPZ)(PZDC)(H2O)] 1 (DPPZ = dipyrido[3,2 -a:2',3'- c]phenazine and H2PZDC = pyrazine-2,3-dicarboxylic acid), has been hydrothermally synthesized and structurally characterized by X-ray single-crystal diffraction, elemental analyses, IR, TG- DTA and magnetic susceptibility measurement. It crystallizes in triclinic, space group P1 with a = 6.6842(5), b = 7.5741(6), c = 20.5755(15) , α = 90.1160(10), β = 97.0560(10), γ = 97.3350(10)°, V = 1025.16(13) 3, Z = 2, MnC24H14N6O5, Mr = 521.35, Dc = 1.689 g/cm3, F(000) = 530, μ(MoKa) = 0.699 mm-1, R = 0.0366 and wR = 0.0810. Compound 1 contains one- dimensional chains which are further stacked through π-π interactions to form a 3D supra- molecular architecture. The water molecule O(1W) is involved in hydrogen bonding interactions with symmetric carboxylate oxygen atom O(4) at (x+1, y+1, z) and symmetric PZDC nitrogen atom N(6) at (1–x, 1–y, 1–z), which completes the structure of 1. Magnetic susceptibility measurement indicates that the compound behaves a weak antiferromagnetic exchange inter- action.     

Synthesis, Crystal Structure and DNA Binding Studies of a Nickel（II） Complex with 2-Aminomethylbenzimidazole and Demethylcantharate

A new mixed-ligand nickel(Ⅱ) complex, [Ni(L)(DCA)(H2O)]·2H2O (L = C8H9N3, 2-aminomethyl-benzimidazole, DCA2- = 7-oxabicyclo[2,2,1]heptane-2,3-dicarboxylate, demethylcantharate, C8H8O5), has been synthesized and characterized. The structure of the complex was determined by single-crystal X-ray diffraction. It is of monoclinic system, space group P21/c with a = 7.7211(7), b = 12.0799(12), c = 19.7867(19), β = 100.390(6)°, V = 1815.2(3) nm3, Dc = 1.625 g·cm-3, Ζ = 4, F(000) = 928, R = 0.0314 and wR = 0.0822. In addition, the interaction between the complex and DNA was studied by means of fluorescence spectra and viscosity. The results indicate that the complex binds to DNA by the mode of partial intercalation with the Stern-Volmer constants Ksv of 3.81 × 104 mol·L-1.     

New Zincophosphite with Infinite One-dimensional [Zn(HPO_3)(H_2PO_3)]~– Chains: Synthesis, Characterizations and Spectral Properties

With dimethylamine as a template, a new one-dimensional zincophosphite (C2H8N)·[Zn(HPO3)(H2PO3)] was prepared under hydrothermal conditions and characterized by single-crystal X-ray diffraction, FTIR spectrametry, elemental analysis, powder X-ray diffraction, and thermogravimetric analysis. The compound crystallized in the Monoclinic space group P2(1)/c, with cell parameters, a=0.78410(9) nm, b=1.54744(2) nm, c=0.81418(1) nm, β=105.8150(1)°, V=0.95049(2) nm3 and Z=4. The connectivity of the ZnO4 tetrahedron...     

二维配合物{[Cd(bpds)(bpp)_2]·2H_2O}_n的水热合成、晶体结构和荧光性质研究(英文)

A novel two-dimensional cadmium(Ⅱ) complex {[Cd(bpds)(bpp)2]·2H2O}n (1) with 4,4′-biphenyldisulfonic acid (H2bpds) and 1,3-bis(4-pyridyl)propane (bpp) has been synthesized by means of hydrothermal method and characterized by elemental analysis, IR spectrum, thermal analysis and single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a=0.900 96(12) nm, b=1.098 84(14) nm, c=1.125 71(15) nm, α=115.907(2)°, β= 92.307 (2)°, γ=105.383 (2)°, V=0.950 8(2) nm3, Dc=1.497 g·cm-3, Z=1, F(000)=440, Goof=1.046, R1=0.028 2, wR2= 0.074 9. Complex 1 shows a novel two-dimensional (2D) lamellar structure and further extended into a 3D supramolecular structure through O-H…O and C-H…O hydrogen bonding interactions. Luminescent studies show that complex 1 exhibits intense blue fluorescent emission. CCDC: 769593.     

配位聚合物[Mn(4,4′-bpy)_(1.5)(H_2O)_3](ClO_4)·(4,4′-bpy)(L)·H_2O的水热合成和晶体结构(英文)

The title compound, [Mn(4,4'-bpy)1.5(H2O)3](ClO4)·(4,4'-bpy)(L)·H2O(1), where L=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of triclinic, space group P1 with a=2.929 9(6) nm, b=1.036 4(2) nm, c=8.222 0(1) nm, α=105.300(2)°, β=97.495(2)°, γ=91.118(2)°, V=1.884 0(4) nm3, Z=2, Mr=780.10, Dc=1.375 g·cm-3, μ=0.483 mm-1, F(000)=812, R=0.055 4, wR=0.135 2. The Mn atoms are octahedrally coordinated by three N atoms of three 4,4'-bipyridine ligands and three O atoms of water. The complex shows a one-dimensional chain structure bridged by water and 4,4'-bipyridine molecules. CCDC: 615707.     

A Novel Hydrogen-bonded Three-dimensional Network Complex Containing Nickel

A novel complex, (H3O)2[Ni(2,6-pydc)2] · 2H2O was synthesized in an aqueous solution and characterized by means of single-crystal X-ray diffraction, elemental analyses and IR spectra. The X-ray structural analysis revealed that the novel compound forms three-dimensional(3D) networks by both π-π stacking and hydrogen-bonding interactions. The crystal data for the complex are a = 13. 853 (3) nm, b= 9. 6892 (19) nm,c=13.732(3) nm, α=90. 00°, β=115.52(3)°, γ=90.00°, Z=3, R1=0. 0786, wR2=0.1522.     

一维链状配位聚合物{[Pb(PTCP)(2,5-pydc)]_2·H_2O}_n的水热合成、晶体结构和发光性质研究(英文)

A new metal-organic coordination compound framework formulated {[Pb(PTCP)(2,5-pydc)]2·H2O}n (1) (PTCP=2-phenyl-1H-1,3,7,8-tetraazacyclopenta[l]-phenanthrene, H2pydc=pyridine-2,5-dicarboxylic acid) has been prepared in the hydrothermal condition and characterized by single-crystal X-ray diffraction, elemental analysis, IR and TG. It crystallizes in monoclinic, space group C2/c with a=2.129 2(4) nm, b=1.111 2(2) nm, c=2.049 4(4) nm, β=105.02(3)°, V=4.683 2(16) nm3, Z=4, Pb2C52H32N10O9, Mr=1 355.26, Dc=1.922 g·cm-3, F(000)=2 600, S= 0.825, R1=0.056 2 and wR2=0.168 9. In the crystal, the Pb atom is five-coordinated by three N and two O atoms. The complex forms a one-dimensional zigzag polymeric chain along the b axis which is stacked to furnish a two- dimensional supramolecular layer structure via aromatic π-π interactions in the ab plane. In addition, hydrogen bonds are observed in the compound which play an important role in forming the final structure. Solid-state fluorescence spectrum of 1 exhibits the maximum emission peak at 621 nm.     

Synthesis,Crystal Structure and Magnetic Behavior of a Novel Cd(Ⅱ) Complex with Four Nitroxide Radicals

A novel diamagnetic-metal Cd(Ⅱ) complex with four nitroxide radicals[Cd(IM4Py)4Cl2](IM4Py=2-(4'-pyridinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl) was synthesized and characterized by elemental analyses,IR spectra,UV-Vis spectra and X-ray single crystal diffraction.The complex crystallized in triclinic space group P1 with a=0.93285(14) nm,b=1.16827(18) nm,c=1.3660(2) nm,α=112.759(2)°,β=104.524(2)°,γ=92.008(3)°,V= 1.3143(3) nm3,Z=1,Dc=1.335 g/cm3,the final R1=0.0423 and wR2=0.1009.In the title complex,each Cd(Ⅱ) ion adopting a distorted octahedral geometry is coordinated by two Cl-anions and four pyridyl-N atoms from four IM4Py ligands.The magnetic measurements show the weak antiferromagnetic interactions between the nitroxide radicals.     

Synthesis,Crystal Structure,DNA Binding and Catalytic Activities of a New Unsymmetrical Macrocyclic Dinuclear Zn(Ⅱ) Complex

An unsymmetrical macrocyclic dinuclear Zn(II) complex, [Zn2(H0.5L)(OAc)](ClO4)1.5(1, H2 L is the condensation product between 2, 6-diformyl-4-methylphenol and diethylenetriamine), was obtained and characterized by IR spectrum, elemental analysis and X-ray single-crystal diffraction. The complex crystallizes in monoclinic, space group P21/c with a = 16.784(2), b = 19.474(3), c = 10.3364(13), β = 92.923(2)°, V = 3374.1(7) 3, Z = 4, Dc = 1.672 g/cm3, F(000) = 1740, μ = 1.651 mm-1, the R = 0.0609 and wR = 0.1696 for 4745 observed reflections(I 2σ(I)). The interactions of the complex with DNA have been measured by electrochemical studies, UV spectroscopy and viscosity experiment. The interactions of the complex with calf thymus DNA were studied by UV-vis spectra and the binding constant is 1.58 × 104 mol·L-1. The phosphate hydrolysis catalyzed by the complex was investigated using 4-nitrophenyl phosphate(NPP) as the substrate; the observed first order rate constant value is 3.0 × 10–4 s-1.     

Crystal Structure and Luminescence of a New Zn(Ⅱ) Complex [Zn(L)(IPP)(H_2O)]·2H_2O Based on Nicotinate Derivative and 1,10-Phenanthroline Derivative

A new Zn(Ⅱ) complex, [Zn(L)(IPP)(H2O)]·2H2O(1, H2 L = 3-carboxy-1-carboxymethyl-2-oxidopyridinium and IPP = 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol), was synthesized under hydrothermal conditions and its structure was determined by single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 8.5023(17), b = 9.945(2), c = 15.573(3) ?, α = 95.87(3), β = 102.56(3), γ = 100.73(3)o, V = 1248.7(4) ?3, Z = 2, C27H22N5O9 Zn, Mr = 625.87, Dc = 1.665 g/cm3, F(000) = 642, μ(Mo Ka) = 1.053 mm-1, R = 0.0474 and w R = 0.1352. In 1, one L2-, one IPP and one water molecule coordinate to the same Zn(II) atom to give a discrete complex with two lattice water molecules. Adjacent [Zn(L)(IPP)(H2O)]·2H2O molecules interact through π-π stacking between two IPP ligands to form a supramolecular chain. The N–H···O and O–H···N hydrogen bonds further stabilize the supramolecular chain structure of 1. The solid state luminescent property of 1 was also studied.     

一个新颖的二维锌配位聚合物[Zn(L)(1,4-BDC)]_n的合成、结构和表征(英文)

The title coordination polymer,[Zn (L) (1,4-BDC)]n (1) (L =2-(4-fluorophenyl)-1H-imidazo [4,5-f] [1,10] phenanthroline and 1,4-H2BDC=1,4-benzenedicarboxylic acid) has been synthesized by hydrothermal method and characterized by elemental analysis,IR and single-crystal X-ray diffraction. It crystallizes in triclinic,space group P1 with a=0.970 85(16) nm,b=1.076 98(18) nm,c=1.203 6(2) nm,α=63.894(2)°,β=69.051(2)°,γ=80.427(2)°,V= 1.055 4(3) nm3,Z=2,C27H15FN4O4Zn,Mr=543.80,Dc=1.711 g·cm-3,F(000)=552,μ(Mo Kα)=1.220 mm-1,R=0.037 2 and wR=0.084 4. The 1,4-BDC ligands linked the Zn(Ⅱ) atoms to form a two-dimensional layer structure. The π-π stacking interactions between L ligands extended the adjacent layers into a three-dimensional supramolecular network. Finally,the N-H…O hydrogen bonds further stabilizes the structure of 1.     

Synthesis and Crystal Structure of Unprecedented Pentanuclear Cu_5~Ⅱ Complex Containing both Macrocyclic and Azido Ligands

The organic-inorganic hybrid complex with formula [(CuL)2Cu3(μ-1,1-N3)4(ClO4)2],complex 1,{CuL,[5,6:14,15-dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13-diene-2,3-dione(2-)]copper(II)},has been synthesized and structurally determined. The crystals of complex 1 crystallize in the triclinic system with space group P1,a=0.92983(12) nm,b=1.09644(14) nm,c=1.27396(16) nm,α=70.782(2)°,β=86.266(2)°,γ=78.284(2)°. In this com-plex,the five copper ions are bridged by macrocyclic oxamide groups and azido. Furthermore,C―H...     

Synthesis and Crystal Structure of a Nitronyl Nitroxide Complex {[Zn(NIT4Py)(fum)(H2O)2]·H2}n

The title compound {[Zn(NIT4Py)(fum)(H2O)2]·H2O}n, where N1T4Py=2-(4'-pyridinyl)-4,4,5,5-tetra-methylimidazoline-l-oxyl-3-oxide and rum=fumarate, has been prepared and structurally characterized by X-ray diffraction. It crystallizes in triclinic, space group P1 with a =6.9533(9), b=9.805(1), c=15.248(2)A, a=94.608(2), β=92.328(2),γ=105.840(2)°,C16H24N3O9Zn, Mr=467.75, V=994.8(2) A3, Z=2, Dc=1.562 g/cm3,μ(MoKa)=1.289 mm-1,F(000)=486, the final R=0.0243 and wR=0.0622 for 3505 independent reflections with Rint=0.0125. The Zn(Ⅱ) adopts a distorted five-coordinate triangle bipyramidal geometry. The basic framework structure of the complex is a 1-D chain. The intrachain hydrogen bonds are helpful to stabilize the 1-D chain structure. Furthermore, the chains are connected by O-H…O hydrogen bonds to give a 2-D double-layer network.     

Synthesis,Crystal Structure and Characterization of a New Zinc Citrate Complex

A new Zn-citrate coordination complex {K[Zn(C6H5O7)(H2O)]}n(1) was synthesized via hydrothermal reaction. In the crystal structure of complex 1, each citrate serves as the quadricdentate ligand coordinating to three Zn(II) ions, forming a zigzag chain, and such chains are further connected into a 3D network by the K+ linkers. Crystal data for complex 1: triclinic, space group P1, a = 7.3487(9), b = 7.5397(6), c = 9.6772(8) ?, α = 76.894(8), β = 68.260(10), γ = 65.155(10)°, V = 450.34(7) ?3 and Z = 2. Other characterizations by elemental analysis, IR, TG and fluorescence were also described.     

Synthesis,Crystal Structure and Photoluminescence of a New Zn(Ⅱ) Dimer Constructed by 1,10-Phenanthroline Derivative and Flexible Dicarboxylate

A new compound,[Zn(L)(1,4-chdc)]2·2H2O(1,1,4-chdc = 1,4-cyclohexanedicarboxylate and L = 11-fluoro-dipyrido[3,2-a:2,3-c]phenazine),has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction.The crystal of 1 belongs to triclinic,space group P1 with a = 9.4679(19),b = 10.915(2),c = 12.577(3) ,α = 77.22(3),β = 74.73(3),γ = 65.47(3)°,C52H39F2N8O10Zn2,Mr = 1104.65,V = 1131.4(4) 3,Z = 1,Dc = 1.621 g/cm3,S = 1.091,μ(MoKα) = 1.143 mm–1,F(000) = 565,R = 0.0426 and wR = 0.1171.In 1,two 1,4-chdc anions bridge two Zn(Ⅱ) atoms to form a dimer.The neighboring dimers are further extended by π-π stacking interactions to form a 2D supramolecular layer.The luminescent property of the compound has also been investigated.     

Synthesis,Crystal Structure and Properties of a New Zn(II) Coordination Polymer Constructed from 2,3-Pyridine Dicarboxylic Acid and 1,1′-(1,4-Butanediyl)bis(imidazole)

A new coordination polymer, namely [Zn(pdc)(bbi)]n {H2 pdc = 2,3-pyridine dicar- boxylic acid, bbi = 1,1-(1,4-butanediyl)bis(imidazole)}, has been prepared under hydrothermal conditions and characterized by elemental analysis, IR, and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21 /n with a = 8.436(3), b = 16.988(5), c = 12.106(4), β = 92.204(5)°, V = 1733.6(9)3, Z = 4, C17 H17 N5 O4 Zn, Mr = 420.73, Dc = 1.612 g/cm3, F(000) = 864, μ(MoKa) = 0.452 mm-1, the R = 0.0672 and wR = 0.1645. In the mononuclear complex, each Zn(II) is five-coordinated by one carboxylate O and one pyridyl N atoms from one pdc anion, one carboxylate O atom from another pdc anion, and two N atoms from two bib ligands. The Zn(II) ions are connected by pdc ligands to form skeleton chains, and bbi ligands further link them to construct a 2D framework. The thermal and luminescence properties of the complex were also investigated.     

一个双核锌(Ⅱ)配合物[Zn2(L)2(Mf)2]的合成、结构、热稳定性及荧光性质

The binuclear Zn(Ⅱ) complex [Zn2(L)2(Mf)2] with 2-hydroxyacetophenone benzoylhydrazone (H2L) and monodentate N-heterocycle, morphine (Mf) has been synthesized and characterized by elemental analysis, IR, UV, molar conductivity, TG and X-ray diffraction structural analysis. Crystal data: monoclinic, space group P21/n with 0=1.263 9(6) nm, b=1.085 2(4) nm, c=1.313 4(5) nm, β=92.16(2)°, V=1.800(l) nm3, Z=2, 0C=1.493 g·cm-3,μ= 1.388 mm-1, F(000)=840, and final R =0.038 4, wR =0.087 9. The two Zn(Ⅱ) centers in the centrosymmetric binuclear complex are bridged by phenolic oxygen atoms with Zn…Zn separation of 0.3150(1) nm. The coordination geometry of each Zn(Ⅱ) atom is trigonal bipyramidal. The fluorescence activities of ligand and the complex were also studied. CCDC: 712643.     

Hydrothermal Synthesis,Crystal Structure and Magnetic Behavior of a Novel 3D Supramolecular Complex [Cu（HDPPZC）（SO4）（H2 O）]2

In the title coordination compound,[Cu(HDPPZC)(SO4)(H2O)]2 (1,HDPPZC=dipyrido[3,2-a:2,3-c]-phenazine-2-carboxylic acid),has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction,elemental analysis and magnetic susceptibility measurement.It crystallizes in triclinic,space group P1 with a=0.69485(6),b=0.76878(4),c=1.76638(13)nm,α=99.437(6),β=94.690(6),γ=95.735(6)o,V=0.92151(12) nm 3,Z=1,Cu2C38 H24 N 8S2O14,Mr=1007.85,Dc= 1.816 g·cm-3,F(000)=510,GOOF=0.988,the final R=0.0580 and wR=0.0689.The structural analyses reveal that complex 1 shows discrete dinuclear clusters,which are further linked by hydrogen bonding and π·π stacking interactions to form a three-dimensional supramolecular compound.Magnetic measurement shows ferromagnetic and antiferromagnetic exchange interactions in the sample.