三(2-氨基乙基)胺-镉(Ⅱ)-2-甲基咪唑三元配合物的合成、结构与抗微生物活性

The complex [Cd(tren)(meim)](ClO₄)₂ was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The compound crystallizes in monoclinic system, space group P2₁/m with a=0.786 8(2) nm, b=0.834 2(2) nm, c=1.496 2(4) nm, M_r=538.64, Z=2, F(000)=542, D_c=1.822 g·cm^-3, T=298(2) K, μ=1.435 mm^-1 and λ=0.071 073 nm. The structure was refined to R=0.045 8 and wR=0.123 1 for 1 489 observed reflections with I>2σ(I). The complex was valued for its antimicrobial activity against bacterial strands using the agar diffusion method. It was found to be active against the four test bacterial organisms. CCDC: 600198.     

邻二氮菲苯妥英合锰(Ⅱ)三元配合物的合成、结构与抗微生物活性研究

The title complex [Mn(pht)₂(phen)] (Hpht=5，5-diphenylimidazoline-2，4-dione， phen=1，10-phenanthroline) was synthesized and characterized by elemental analysis， IR and X-ray diffraction single-crystal structure analysis. The compound crystallizes in the monoclinic system， space group C2/c with a=2.631 5(16) nm， b=0.924 5(6) nm， c=1.550 8(10) nm， β=116.231(7)°; V=3.384(4) nm³，M_r=737.66， Z=4， F(000)=1 524， D_c=1.448 g·cm^-3， μ=0.446 mm^-1， the final R=0.069 9 and wR=0.195 3. The complex was valued for its antimicrobial activity against some bacteria in vitro. It was found to be active against the four test bacterial organisms. CCDC: 616309.     

钴配合物的合成、晶体结构与抗微生物活性

The title complex [Co(pht)₂(bipy)](Hpht: 5,5-diphenylhydantoin, i.e. phenytoin;bipy: 2,2-dipyridine) was synthesized by hydrothermal methods and characterized by elemental analysis, IR and X-ray single-crystal structure determination. The compound crystallizes in the monoclinic system, space group C2/c with a=2.697 7(3) nm, b=0.868 40(10) nm, c=1.622 8(2) nm, β=119.66(2)°, V=3.303 6(6) nm³, D_c=1.443 mg·m^-3, Z=4, F(000)=1 484, μ=0.572 mm^-1, R=0.039 5, wR=0.082 7[I>2σ(I)], GOF=1.045. The complex was valued for its antimicrobial activity by diffu-sion test in vitro. It was found to be active against the three test bacterial organisms. CCDC: 669594.     

混配配合物[Zn(CF3COO)2(C7H6NS)2]的合成、晶体结构及表征

A mixed complex [Zn(CF₃COO)₂(C₇H₆NS)₂] was synthesized based on the reaction of Zn(CF₃COO)₂ and 2-aminobenzothiazol (C₇H₆NS) in methanol. The structure of the complex was characterized by elemental analysis, IR, ¹H NMR and thermal analysis. The crystal structure of the complex was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic system with space group C2/c, a=3.174 3(9) nm, b=1.010 0(3) nm, c=1.723 1(5) nm, β=118.841(4)°, V=4.839(2) nm³; D_c=1.625 g·cm^-3; Z=8; F(000)=2 368; μ=1.266 mm^-1. CCDC: 600233.     

具有二维网格结构的5-(4-硝基苯基)四唑-锌(Ⅱ)配合物

A zinc(Ⅱ) complex [(5-(4-nitrophenyl)tetrazolato)₂Zn]_n was obtained by the hydrothermal treatment of ZnBr₂ and NaN₃ with 4-nitrobenzonitril in water at 120 ℃ in Pyrex tube. The crystal belongs to orthorhombic system with space group Pbcn, and a=1.040 7(5) nm, b=1.382 1(7) nm, c=2.435 1(13) nm, V=3.503(3) nm³, Z=8. This complex is a good blue fluorescent material in solid state at room temperature. CCDC: 684226.     

锌与邻菲咯啉和α-萘乙酸配合物的合成、结构和抗菌活性

The complex with the molecular formula of Zn(Phen)(NAA)₂ was synthesized by the reaction of ZnSO₄, naphthylacetic acid and phenanthroline in ethanol-water solution at about pH≈7. It was characterized by elemental analysis, IR spectrum and X-ray single crystal diffraction. The antibacterial activity on E. Coli, S. Aureus and B. Subtilis were also been studied. The crystal of the complex belongs to triclinic system with space group P1, a=1.300 2 nm, b=1.306 4 nm, c=1.714 4 nm, α=89.41°, β=77.06°, γ=86.70°, V=2.833 5(2) nm³, Z=4, D_c=1.444 g·cm^-3, M_r=615.96, μ(Mo Kα)=0.912 mm^-1, the final R=0.039 8 and wR=0.103 4 [I>2σ(I)], F(000)=1 272. An asymmetry unit is composed of two independent molecules of Zn(Phen)(NAA)₂ with different bond length and bond angles. There exist two kinds of face to face π-π stacking interactions . The complex has a good effect against E. Coli. CCDC: 619222.     

共平面的μ-S桥联（1，10-菲咯啉）钯(Ⅱ)双核配合物的晶体结构与π-π堆积

A novel μ-S-bridged di-palladium(Ⅱ) complex, {[(phen)Pd( μ-SPr)₂Pd(phen)](NO₃)₂·2H₂O} (1) was synthesized and characterized by the ¹H NMR, element analysis and single crystal X-ray diffraction. It crystallizes in the monoclinic space group C2/c with unit cell parameters: a=2.165 1(3) nm, b=1.291 4(2) nm, c=2.716 2(3) nm, β=111.987(3)°, and V=7.041 8(16) nm³, Z=8, R=0.054 4, wR=0.127 4. The X-ray crystal structure analysis revealed that two 1,10-phenanthroline palladium(Ⅱ) moieties were bridged by two n-propylmercapatan molecules in coplanar fashion with the dimensions of 1.55 nm×0.88 nm. The plane-to-plane distance of the complex 1 is 0.33 nm, which reveals strong aromatic-aromatic π-π interaction. CCDC: 292998.     

配合物[Zn(tren)(H-SSA)]的合成、晶体结构及表征

A new mixed complex [Zn(tren) (H-SSA)] was synthesized based on the reaction of ZnO,5-sulfosalicylic acid and tren in water-methanol mixed solvents where tren was tris(2-aminoethyl)amine for the first time. The structure of the mixed complex was characterized by elemental analysis, IR, ¹H NMR and thermal analysis. The crystal structure of the complex was also determined by X-ray single crystal diffraction. Its crystal belongs to trigonal system with space group P3₁, a=1.109 67(18) nm, b=1.109 67(18) nm, c=1.236 8(4) nm, V=1.318 9(5) nm³; D_c=1.616 g·cm^-3; Z=3; F(000)=666; μ=1.553 mm^-1. CCDC: 253908.     

甲基三氧化铼(Ⅶ)席夫碱配合物的合成与晶体结构

A novel methyltrioxorhenium(Ⅶ) (MTO) complex was synthesized by the reaction of MTO with Schiff-base ligand obtained by the condensation of 2-pyridinecarboxaldehyde with 4-bromoaniline in methanol. The complex was characterized by NMR, IR, MS, elemental analysis and X-ray diffraction single crystal structure analysis. The results showed that the crystal belongs to monoclinic, space group P2₁/n with a=0.965 70(19) nm, b=1.410 6(3) nm, c=1.080 4(2) nm, β=109.20(3)°, V=1.390 0(5) nm3, M_r=510.36, Z=4, D_c=2.439 g·cm^-3, F(000)=952 and final R₁=0.034 4, wR₂=0.076 1. The crystal structure indicates that the Re(Ⅶ) atom is coordinated with both nitrogen atoms from the Schiff-base. CCDC: 740159.     

3-乙氧基水杨醛缩N，N-双(3-胺基丙烷)-甲基氨Zn(Ⅱ)配合物的合成、晶体结构及荧光性质

The reaction of 3-ethoxysalicylaldehyde-N,N-bis(3-aminopropyl)methylamine with Zn(Ⅱ) acetate in CH₃CH₂OH followed by recrystallization in CH₃CH₂OH gave rise to colourless block crystals of 3-ethoxysali-cylaldehyde-N,N-bis(3-aminopropyl)methylamine Zn(Ⅱ). The compound has been characterized by elemental analysis, IR spectrum, molar conductivity and X-ray diffraction structure determination single crystal. It crystallizes in monoclinic, space group P2₁/c with a=1.028 91(13) nm, b=1.400 35(12) nm, c=1.733 69(19) nm, V=2.476 6(5) nm³, Z=4, M_r=504.91, D_c=1.354 g·cm^-3, T=298(2) K, F(000)=1 064, μ(Mo Kα)=0.102 7 cm-1, R=0.068 4 and wR=0.185 3 for 2 940 observed reflections with I>2σ(I). The fluorescence properties of ligand and the complex also have been investigated. The results show that the fluorescence intensity of the Zn(Ⅱ) complex is very stronger than the ligand. In the crystal, the molecules form 1D chain structure by π-π stacking. CCDC: 675010.     

3-甲基-4-对甲基苯基-5-(2-吡啶基)-1，2，4-三唑双核铜(Ⅱ)配合物的合成、晶体结构及磁性

A dinuclear Cu(Ⅱ) complex [Cu₂(MMBPT)₂Cl₄(H₂O)_2.5] (I) [MMBPT=3-Methyl-4-(4-Methylphenyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by reaction of MMBPT with CuCl₂·2H₂O and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in monoclinic, space group P2₁/c with a=1.273 4(3) nm, b=1.237 5(3) nm, c=2.403 2(5) nm, β=90.51(3)°. V=3.786 6(13) nm³, Z=2, D_c=1.429 Mg·m^-3, μ=1.445 mm^-1, F(000)=1 660, and final R₁=0.055 5, wR₂=0.129 7. The crystal structure shows that the dinuclear Cu₂N₆ unit is almost planar in which each Cu(Ⅱ) ion was five-coordinated by one nitrogen atoms from MMBPT and two chlorine in the basal positions and two nitrogen atoms from two MMBPTs respectively in the axial one, to form a distorted trigonal bipyramidal geometry. Magnetic measurements reveal a relatively strong antiferromagentic interaction in the complex. CCDC: 720011.     

一个新的双核锌配合物Zn2(dhaash)2(py)4的合成及晶体结构

The crystal of binuclear zinc complex Zn₂(dhaash)₂(py)₄ was obtained in DMF and pyridine, where H₂dhaash is 2,4-dihydroxy-5-acetylacetophenone-N-salicylhydrazone. It has been characterized by IR, UV, element analysis and X-ray single crystal diffraction. The crystallographic data were as follows: monoclinic system, space group P2₁/c, a=1.108 98(11) nm, b=1.640 84(16) nm, c=1.445 14(14) nm, β=108.617(2)°, Z=2, V=2.492 1(4) nm³, D_c=1.466 g·cm^-3, M_r=1 099.74, μ=1.031 mm^-1, F(000)=1 136 and the final R=0.044 8 and wR=0.105 8 for 4 143 observed reflections with I≥2σ(I), respectively. The X-ray crystal structure analysis revealed that, in the centrosymmetric binuclear complex molecule, two zinc(Ⅱ) centers are linked by two oxygen atoms (O(3) and O(3A)), respectively. Zn(1)…Zn(1A) distance is 0.314 81(6) nm, O(3)…O(3A) distance is 0.270 4(2) nm. Every zinc(Ⅱ) ion has an elongated octahedral coordination. For example, the two pyridine nitrogen atoms, one oxygen atom and one nitrogen atom from salicylhydrazone, one oxygen atom from 2,4-dihydroxy-5-acetylacetophenone in one dhaash^2- ligand and one oxygen atom from 2,4-dihydroxy-5-acetylacetophenone in another dhaash^2- ligand coordinated to zinc(Ⅱ) ion, respectively. Two zinc(Ⅱ) ions and all the 72 non-hydrogen atoms in the two dhaash^2- ligands are in the same plane. CCDC: 261929.     

混配配合物[Zn(acac)2(C5H4NOH)]的合成、晶体结构及表征

The complex [Zn(acac)₂(C₅H₄NOH)] was synthesized based on the reaction of zinc(Ⅱ) acetate, acetylaceton and 3-hydroxypyridine(C₅H₄NOH) in methanol medium. The structure of the complex was confirmed by IR, ¹H NMR, elemental analysis, thermal analysis and X-ray single crystal diffraction. The crystal belongs to monoclinic system with space group P2₁/n, and a=0.743 7(3) nm, b=0.829 5(3) nm, c=2.612 5(9) nm, β=95.026(6)°, V=1.605 4(9) nm³; D_c=1.484 g·cm^-3; Z=4; F(000)=744; μ=1.551 mm^-1. Zinc(Ⅱ) atom lies at the center of an coordination of the distorted square pyramidal formed by four O atoms which come from two different acetylaceton ions and one N atom from the 3-hydroxypyridine molecule. CCDC: 600232.     

配合物[Cu(HPHAc)2(py)2](H2PHAc=苯羟乙酸，py=吡啶)的合成和晶体结构

The novel copper(Ⅱ) complex with α-hydroxyphenylacetic acid (H₂PHAc) and pyridine (py) ligands, [Cu(HPHAc)₂(py)₂], has been synthesized and characterized by elemental analysis and IR spectroscopy. Its crystal structure was determined by single crystal X-ray diffraction techniques. The crystal belongs to monoclinic with space group C2/c. The cell parameters are: a=1.712 5(3) nm, b=1.533 2(2) nm, c=0.963 42(14) nm, β=111.866(2)°, V=2.347 6(6) nm³, and D_c=1.483 Mg·m^-3, Z=4, F(000)=1 084. The structure was refined to final R₁=0.071 4, wR₂=0.166 1. The complex has a six-coordinated distorted octahedral geometry, in which copper(Ⅱ) ion coordinates with two carboxylic oxygen atoms and two hydroxyl oxygen atoms from the two α-hydroxyphenylacetic acid ligands, two nitrogen atoms from the two pyridine ligands. The analysis of the crystal structure indicates that the complex has a one-dimensional chain structure, which is formed by intermolecular hydrogen bonds. CCDC: 255346.     

3-甲基-4-对甲基苯基-5-(2-吡啶基)-1，2，4-三唑双核锰(Ⅱ)配合物的合成及晶体结构

A dinuclear Mn(Ⅱ) complex [Mn₂L₂(μ-Cl)₂Cl₂(H₂O)₂] (1) was synthesized by reaction of ligand L with MnCl₂ ·4H₂O and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in monoclinic, space group C2/c with a=2.018 0(15) nm, b=0.894 0(6) nm, c=1.932 1(14) nm, β=97.506(12)°. V=3 456(4) nm3, Z=4, D_c=1.515 Mg·m^-3, μ=1.081 mm^-1, F(000)=1 608, and final R₁=0.043 8, wR₂=0.109 9. The result shows a Mn(Ⅱ) ion was six-coordinated by a bidentate 3-methyl-4-( p-methylphenyl)-5-(2-pyridyl)-1,2,4-triazole, one chlorine and one bridging chlorine atom in the basal positions and one chloride atom and one water molecule in the axial one, to form a distorted octahedral-pyramidal geometry. CCDC: 713047.     

新的含有4-对甲基苯基-3，5-二(2-吡啶基)-1，2，4-三氮唑钴配合物的合成和晶体结构(英)

A new cobalt(Ⅱ) complex, [CoL₂(NCS)₂]·2CH₂Cl₂, [L=4-(p-methylphenyl)-3,5-bis(pyridin-2-yl)-1,2,4-triazole], was synthesized and its crystal structure was determined by X-ray analysis. The complex crystallizes in monoclinic system with space group P2₁/c, a=0.867 40(17), b=1.453 9(3), c=1.781 9(4) nm, β=91.18(3)°, V=2.246 7(8) nm³ and Z=2. The cobalt atom is in a distorted octahedral environment with two bidentate chelating L ligands in the equatorial plane and two NCS^- ions in the axial positions. CCDC: 251658.     

水杨醛缩乙醇胺及8-羟基喹啉氧钒三元配合物的合成、晶体结构及热分解研究(英)

A new oxovanadium(Ⅴ) ternary complex, VO(L)(hq) [H₂L: N-salicylidene-N′-aminoethanol; hq: 8-hydroxy quinoline], was synthesized by the reaction of salicyaldehyde, aminoethanol and 8-hydroxy quinoline with vanadyl sulfate. It was characterized by elemental analysis, IR and X-ray diffraction analysis. The crystal of the title complex (C₁₈H₁₅N₂O₄V, M_r=374.26) belongs to monoclinic, space group P2₁/n with the following crystallographic parameters: a=1.5435(5) nm, b=0.662 0(2) nm, c=1.648 9(6) nm, β=105.043(7)°, V=1.627 3(10) nm³, Z=4, D_c=1.528 g·cm^-3, μ(MoKα)=0.636 mm^-1, F(000)=768, and final R₁=0.056 8, wR₂=0.106 7 for observed reflections 957 (I>2σ(I)). The complex is six-coordinate in distorted octahedral geometry. The thermal decomposition for the complex was studied by TG-DTG curves and the apparent activation energy was obtained by the Kissinger formula. CCDC: 218497.     

对氟苯甲醛水杨酰腙镍(II)配合物的合成、表征及其晶体结构

A nickel(II) complex Ni(C₁₄H₁₀N₂O₂F)₂ was synthesized from p-fluorobenzaldehyde salicylhydrazone and Ni(CH₃COO)₂·4H₂O and crystallized by diffusion, the structure of which was characterized by IR spectrum, ¹H NMR, and X-ray single-crystal diffraction. The complex crystallizes in monoclinic space group C2/c with a=2.460 6(2) nm, b=0.774 1(1) nm, c=1.534 9(1) nm, β=122.300(1)°, and V=2.471 1(4), Z=8, D_c=1.541 g·cm^-3. We reported the IR, ¹H NMR, crystal structure. CCDC: 638652.     

新配合物[Cd(H2O)2(phen)2](PA)2的制备及晶体结构

The new compound was prepared by the reaction of Cd(ClO₄)₂·6H₂O,1,10-phenanthroline (phen)and picric acid (HPA)(ratio 1∶3∶2) in methanol-aqueous solution refluxing for 4 hours. The crystals used for X-ray analysis was obtained by slow evaporation of the solution at room temperature. The crystal compound is in triclinic with space group with a=1.1363(4)nm,b=1.2593(2)nm,c=1.3972(4)nm,α=93.97(2)?,β=100.84(3)?,γ=106.29(2)?,Z=2,V=1.8690(9)nm³,D_c=1.715g·cm^-3, μ(MoKα)=0.677mm^-1,F(000)=972,R=0.0907,wR=0.2240. In the complex, the Cd(Ⅱ) cation is octahedrally coordinated to two 1,10-phenanthroline ligands and two water molecules in cis disposition. As outer sphere, picrate anions are combined with inner by hydrogen bond and static electricity interaction.     

三唑酮氯化锌配合物的合成和晶体结构研究

The new compound was synthesized by the reaction of ZnCl₂ and triadimefon(ratio 1∶2) in ethanol solution refluxing for 6 hours. The crystal used for X-ray analysis was obtained by slow evaporation of the solution at room temperature. It crystallizes in the monoclinic system, space group P2/n. The lattice parameters are: a=1.58916(6)nm, b=0.60634(2)nm, c=1.83566(8)nm, β=93.979(2)°, V=1.7645(1)nm³, Z=2, D_c=1.362g·cm^-3, F(000)=744.00, μ(Mo Kα)=1.038mm^-1, R₁=0.042, wR₂=0.106. In the complex, the Zn(Ⅱ) cation is tetrahedrally coordinated to two triadimefon ligands and two chloride in cis disposition. The title complex was also characterized by elemental analysis, molar conductance, IR and TG-DTA. CCDC: 207413.