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.     

二维网状有机锑对氨基苯乙酸酯的合成、表征及晶体结构研究

The title complex bis(4-aminophenylacetate)triphenylantimony(V) has been synthesized by the reaction of triphenylantimony dibromide with 4-aminophenylacetic acid in 1∶2 molar ratio. The complex was characterized by elemental analysis, IR spectra, NMR ( ¹H, ¹³C) and X-ray diffraction crystal structure analysis. This complex crystallizes in the monoclinic system, space group C2/c with a=2.279 4(2) nm, b=0.957 10(10) nm, c=1.335 49(15) nm, β=93.781(2)°. The molecular structure adopts a distorted trigonal bipyramidal geometry around the antimony atom. In the crystal structure molecules are connected by intermolecular N-H…O hydrogen-bonding interactions forming a two-dimensional network structure. CCDC: 726039.     

2′-(4-氟基苯亚甲基)-3，5-二羟基苯甲酰腙Ni(Ⅱ)配合物的合成、表征、晶体结构及光谱性质

In ethanol, a new mononuclear nickel(Ⅱ) complex incorporating Schiff base ligands, [NiL₂](DMF)₄ (HL=2′-(4-fluorobenzylidene)-3,5-dihydroxybenzoylhy drazide) has been synthesized and characterized by IR, UV-Vis, elemental analysis and X-ray crystal structure analysis. The single crystal structure has been determined by single-crystal X-ray diffraction structure analysis. The crystal belongs to monoclinic system, space group P2₁/c with a=1.617 3(2) nm,b=1.798 5(2) nm, c=0.737 61(10) nm, β=91.953(3)°, V=2.144 3(5) nm³, Z=2, μ=0.526 mm^-1, D_c=1.390 g·cm^-3, F(000)=940, R_int=0.105 3. In the compound nickel(Ⅱ) atom is four-coordinated with two nitrogen atoms from amide and two oxygen atoms from keto group. The complex has the centrosymmetry and the nickel(Ⅱ) ion is located in the center. CCDC: 675522.     

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.     

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.     

一维链状铜配合物的合成及结构表征

The Copper(Ⅰ) complex [Cu(tpy)(CN)]_n[L=4′-(4-cyanophenyl)-2,2′∶6′,2″-terpyridine ] has been synthe-sized by reaction of ligand L with CuCN using solvothermal method and characterized by IR, elemental analysis and X-ray diffraction single-crystal structure analysis. The crystal structure indicates that the complex crystallizes in monoclinic system, space group P2₁/c with a=0.884 45(18) nm, b=0.819 55(16) nm, c=2.702 90(7) nm, β=102.780(3)°, V=1.910 7(7) nm³, Z=4, D_c=1.495 g·cm^-3, F(000)=864.0, R₁=0.059 3, wR₂=0.123 3. The Cu(Ⅰ) ion in the title complex has a slightly distorted tetrahedron coordination geometry. Each Cu⁺ is coordinated with two nitrogen atoms from two pyridine ring of 4′-(4-cyanophenyl)-2,2′∶6′,2″-terpyridine, and then linked by two CN^- ligands with neighbor Cu⁺ forming a zigzag infinite one-dimensional chain structure. CCDC: 686952.     

鼓形有机锡氧簇合物[nBuSn(O)(NNA)]6的合成、晶体结构及生物活性

The title complex [ⁿBuSn(O)(NNA)]₆(1), was synthesized by the reaction of ⁿBuSn(O)OH with naphthalene acetic acid in 1∶1 molar radio, where HNNA=naphthalene acetic acid. The complex was characterized by IR, ¹H NMR spectra and elemental analysis. The crystal structure was determined by X-ray diffraction method. It crystallizes in monoclinic system with space group P2₁/n. The crystal data are: a=2.647 1(5) nm, b=1.412 9(3) nm, c=2.805 7(6) nm, β=116.185(3)°, Z=4, V=9.417(3) nm³, D_c=1.595 g·cm^-3, μ=1.632 mm^-1, F(000)=4 512, R₁=0.050 3, wR₂=0.131 2. The structure shows a distorted octahedral configuration with six-coordination for the central tin atom. The bioactivity test shows that the Sn(Ⅳ) complex has selective antibacterial property. CCDC: 752497.     

混合配体配合物[Cd2(phen)4(bmal)2]·3H2O的合成与晶体结构研究

A novel binucleus mixed-ligand[Cd₂(phen)₄(bmal)₂]·3H₂O (phen=phenanthroline; bmal=benzylmalonic acid radical) has been synthesized by the reaction of phen and bmal with cadmium(Ⅱ) salt. X-ray crystal structure analysis was carried out to determine the crystal structure of the title complex. The crystal of the title complex belongs to monoclinic system with space group P2₁/c, a=1.119 1(8) nm, b=2.480 5(17) nm, c=1.063 4(8) nm, β=142.042(12)°, Z=4, V=2.887(3) nm³, D_c=1.613 g·cm^-3, R₁=0.046 2, wR₂=0.115 6, F(000)=1 424. One carboxyl of bmal is coordinated to Cd(1) with monodentate form, the others are coordinated to Cd(2) with bidentate form. The complexes form a 1-D chain structure bridged by hydrogen bonds that formed by uncoordinated water and oxygen atom of carboxyl group in bmal, the 2-D network structure was formed by π-π interaction of neighbouring phen. CCDC: 257080.     

钾的配合物C9H10KNO4S的合成、晶体结构及生物活性

The title complex was synthesized by the reaction of taurine 、salicylic and potassium hydrate in water-ethanol solution. The crystal structure was determined by X-ray diffraction method and the chemical formula weight of the complex is 267.34. and the crystal belongs to monoclinic system with space group P2₁/c and cell parameters： a=2.0292(8)nm， b=0.7283(4)nm， c=0.7540(4)nm; β=94.15(1)°， V=1.1115(9)nm3， Z=4， D_c=1.598 g·cm^-3， μ=0.0663mm^-1， F(000)=552. The complex is a lamellar compound of infinite expansion. In addi-tion， the complex has been tested for its antibacterial active. The average diameter of complex antibacterial activing cycle： colibacillus is 9mm， pseudomonas aeruginosa is 8mm. CCDC： 194630.     

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.