Synthesis and Crystal Structure of N-（1-Phenyl-3-methyl-4-benzal-pyrazolone-5）-furoic Hydrazide

1 INTRODUCTION In recent years, investigations on the com- pounds containing hydrazide or hydrazone moieties have been increased considerably because of their potentially biological activities, especially as poten- tial inhibitors for many enzymes[1～5]. The presence of weak molecular interactions such as hydrogen- bonding controls the conformational and structural features which are important to the drug action[6, 7]. We have synthesized the photochromic compounds of pyrazolone thiosemi…     

The structure and magnetic properties of μ3-oxotriiron(III) complex [Fe3O(OBz)6(CH3OH)3](NO3)(CH3OH)2

A new μ₃-O triiron(III) complex [Fe₃O(OBz)₆(CH₃OH)₃](NO₃)(CH₃OH)₂ (HOBZ = benzoic acid) has been synthesized, its structure has been determined and variable temperature magnetic susceptility has also been measured. In the molecule, three iron atoms formed an equilateral triangle with μ₃-O in center. The fitting to the magnetic susceptibility showed that an intramolecular antiferromagnetic exchange interaction occurred between iron atoms with J=-25.51 cm^?1, and a weaker intermolecular autiferromagnetic exchange interaction occurred with zJ' = ?2.30 cm^?1.     

Solid state synthesis and structure of two novel polyoxometalates [(n-Bu)4N]4[M6O19][Ag2I4](M?Mo,W)†

The reaction of [NH₄]₂[MO₂S₂], AgI and (n-Bu)₄NBr in solid state produced the polyoxometalates [(n-Bu)₄N]₄[M₆O₁₉][Ag₂I₄] (1, M? Mo; 2, M? W) which were structurally determined. The crystals of 1 and 2 are isomorphous, monoclinic, space group P2₁/c. 1, a = l.6624(2), b=1.6699(3), c=l.7217(2) nm, β=98.29(1)°, V=4.729(1) nm³, Z=2, R=0.040, R_w“0.037; 2, a = 1.6636(3), b = 1.6733(3), c = 1.7190(3) nm, β=98.25(1)°, V=4.736(l) nm³, Z = 2, R = 0.038, R_w = 0.047. The results of the structure determination showed that the two compounds had the same structures whose skeletons are composed of [Ag₂I₄]². and [M₆O₁₉]^2-. The difference of them and heteropolymetalate compounds synthesized in solution is that the title compounds contain cluster. ion, heteropolymetalate and organic cations, while the latter is only composed of heteropolymetalate and organic cations.     

双-单齿芳香酰胺型配体桥联La3＋一维配位聚合物的合成与晶体结构

通过硝酸镧和双-单齿芳香酰胺型配体L {L＝1,4-双[(2'-苄胺甲酰基苯氧基)-甲基]苯}之间的反应得到了配位聚合物{[La(NO₃)₃]₂•L₃}_n, 并用X射线单晶衍射测定了配合物的晶体结构. 配合物为三斜晶系, _P1空间群, 晶胞参数a＝1.1298(2) nm, b＝1.2689(1) nm, c＝2.1030(3) nm, α＝81.189(9)°, β＝80.95(1)°, γ＝65.832(9)°, V＝2.7032(6) nm³, Z＝2, R＝0.0267, wR＝0.0679, La^3＋为9配位, 呈变形的三帽三角棱柱配位构型. 配合物通过配体的桥联作用形成一维环链相间的配位聚合结构, 由于相邻链间不存在氢键和π-π堆积作用, 所以配合物是以单链形式堆积排列.     

The structure of adducts of benzaldoxime and m-chlorobenzaldoxime dehydrodimers with styrene

The reaction of m-chlorobenzaldoxime dehydrodimer with styrene gives two 1:1 adducts.The main product 7 is a bisnitrone. The minor product 8 has been shown by X-ray diffraction anal-ysis to possess the structure: ArCH(N=O)CH_2CH (Ph)O--N=CHAr. The two C=N bonds areall in Z configuration. The structure of the adducts from benzaldoxime dehydrodimer and styrene isalso assigned.     

Synthesis,structure and DNA-binding studies on the 2-(3-chlorophenyl)imidazo[4,5-f]1,10-phenanthroline-bis(2,2′-bipy ridine)-ruthenium(II) complex

A new polypyridyl ligand, MCP {MCP = 2-(3-chlorophenyl)imidazo[4,5-f]1,10-phenanthroline} and its ruthenium(II) complex, [Ru(bpy)2(MCP)](ClO4)2· 0.5MeCN (bpy = 2,2-bipyridine), have been synthesized and characterized. The structure of the complex was determined by single crystal X-ray diffraction techniques. The MCP ligand is essentially planar and the stacking interactions between the ligands were observed in the crystal. [Ru(bpy)2(MCP)]2+ can strongly bind to Calf thymus DNA through intercalation of MCP ligand. The Cl substitute group has no significant effect on the spectral properties and DNA-binding behaviour of the complex.     

Crystal structure and luminescence property of ternary terbium p-aminobenzoic acid complexes with different second ligands

Ternary terbium complexes with p-aminobenzoic acid (HL), [TbL₃(DMSO)(H₂O)]₂ (1), [TbL₃(DMF)(H₂O)]₂ (2) and [TbL₃(Bpy)(H₂O)]₂·2H₂O (3) (DMSO=dimethyl sulfoxide, DMF=N, N- dimethylformamide, Bpy=2, 2′- bipyridyl) have been synthesized, and their crystal structures determined. The luminescence properties of these complexes, including both the emission quantum yield and the fluorescence lifetime, have been investigated. The effect of a second ligand on the crystal structure and luminescence property of the ternary terbium p-aminobenzoic acid complexes, and the relationship between luminescence properties and crystal structure, including coordination mode of the L⁻ ligand and the characteristics of a second ligand, are discussed.     

[K2(TNR)(H2O)]n的制备、分子结构和热分解机理

2,4,6-三硝基间苯二酚(斯蒂芬酸)及其盐类,如斯蒂芬酸铅、斯蒂芬酸钡等是常用的含能材料[1],但斯蒂芬酸铅盐及钡盐在爆炸后产生重金属污染,对使用人员的健康及环境都产生危害.     

N,N′-苄基-1,2二胺合铜的合成和晶体结构及与DNA的相互作用(英文)

A ligand,(N,N′-dibenzylethane-1,2-diamine)(L),and its complex with copper acetate was synthesized and characterized by some spectral analyses.The copper ! ion is six-coordinated and exhibites octahedral coordination geometry,the coordination atoms are four nitrogen atoms from two(L) ligands and two carboxyl oxygen atoms from two acetic acid groups,respectively.After studying the interaction of the complex with calf thymus DNA through UV and fluorescence spectra,we can find that there is a strong binding and a large affinity berween the complex and calf thymus DNA.CCDC: 649416.     

一个新颖的三维异核锑(Ⅲ)-镨(Ⅲ)配合物[Sb2-μ4-(EDTA)2Pr(H2O)5]NO3·4H2O的合成、晶体结构及热分解研究

合成了锑-镨与乙二胺四乙酸形成的新颖三维配合物[Sb2-μ4-(EDTA)2Pr(H2O)5]NO3·4H2O,用元素分析、红外光谱、热分析及X射线单晶衍射法等进行了组成和结构表征.结果表明该配合物属正交晶系,空间群Pnn2;晶胞参数:a=1.07031(2)nm,b=2.30805(4)nm,c=0.72343(2)nm,V=1.78711(7)nm3,Z=2,Dc=2.202g/cm3,F(000)=1164,μ=2.955mm-1,GOF=1.000,最终偏离因子R1=0.0203,wR2=0.0545[I>2σ(Ⅰ)].在标题化合物中,每个镨(Ⅲ)离子的配位数为9,与五个水分子中的五个氧原子和四个羧基氧原子配位,形成三帽三角棱柱空间配位多面体.锑(Ⅲ)与EDTA离子中的四个氧原子和两个氮原子配位,在赤道平面上有一孤对电子.同时讨论了配合物的热分解过程.