首页> 外文期刊>Journal of chemical crystallography >Structures and characterization of [Zn(n-chlorosalicylato)2 (N-methylnicotinamide)2(H2O)2] (n = 4 or 5) ligand isomers
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Structures and characterization of [Zn(n-chlorosalicylato)2 (N-methylnicotinamide)2(H2O)2] (n = 4 or 5) ligand isomers

机译:[Zn(n-chlorosalicylato)2(N-甲基烟酰胺)2(H2O)2](n = 4或5)配体异构体的结构和表征

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Two ligand isomers [Zn{4-ClC_6H_3-2-(OH) COO} _2(Menia)_2(H_2O)_2] (I) and [Zn{5-ClC_6H_3-2-(OH) COO}_2(Menia) _2(H_2O)_2] (II) (Menia = N-methylnicotinamide) were prepared and characterized by elemental analysis, IR spectroscopy and thermal analysis. The X-ray crystal structures of complexes (I) and (II) were determined. Compound (I) crystallizes in the triclinic space group P1- with a = 8.105(1) ?, b = 10.036(2) ?, c = 10.545(2) ?, α = 109.088(9)°, β = 91.416(8)°, γ = 102.757(9)°, V = 786.2(2) ?3, Z = 1. Compound (II) crystallizes in the triclinic space group P1-. Its cell parameters are: a = 8.133(1) ?, b = 10.119(2) ?, c = 10.428(1) ?, α = 66.44(1)°, β = 74.32(1)°, γ = 80.16(1)°, V = 755.5(2) ?3, Z = 1. The molecular structure of both isomers is monomeric. Each Zn(II) atom is hexacoordinated by three pairs of unidentate ligands in trans-positions (ZnO4N2). The 5-Clsal complex is somewhat less distorted than 4-Clsal complex (Cl-sal = chlorosalicylate). The structural data are compared with those found in similar [Zn(RCOO)_2(NL) _2(H_2O)_2].
机译:两种配体异构体[Zn {4-ClC_6H_3-2-(OH)COO} _2(Menia)_2(H_2O)_2](I)和[Zn {5-ClC_6H_3-2-(OH)COO} _2(Menia)_2制备了(H_2O)_2](II)(Menia = N-甲基烟酰胺),并通过元素分析,红外光谱和热分析进行了表征。确定了配合物(I)和(II)的X射线晶体结构。化合物(I)在三斜晶空间群P1-中结晶,a = 8.105(1)α,b = 10.036(2)β,c = 10.545(2)α,α= 109.088(9)°,β= 91.416(8) )°,γ= 102.757(9)°,V = 786.2(2)≤3,Z = 1。化合物(II)在三斜晶空间群P1-中结晶。它的像元参数为:a = 8.133(1)?,b = 10.119(2)?,c = 10.428(1)?,α= 66.44(1)°,β= 74.32(1)°,γ= 80.16(1 )°,V = 755.5(2)≤3,Z = 1。两种异构体的分子结构均为单体。每个Zn(II)原子都由三对在转位(ZnO4N2)中不相同的配体进行六配位。 5-Clsal络合物的扭曲程度略低于4-Clsal络合物(Cl-sal =氯水杨酸酯)。将结构数据与在类似的[Zn(RCOO)_2(NL)_2(H_2O)_2]中发现的数据进行比较。

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