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首页> 外文期刊>Journal of chemical crystallography >Acetate bridged trinuclear Zn, Ca and Mg metal complexes with 2- and 4-substituted pyridines
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Acetate bridged trinuclear Zn, Ca and Mg metal complexes with 2- and 4-substituted pyridines

机译：乙酸盐桥接的三核锌，钙和镁金属配合物，带有2-和4-取代的吡啶

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摘要

The structures of the complexes [Zn _2(C _5H _6N _2) _2 (C _2H _3O _2) _6Ca], compound 1; [Zn(C _7H _(10)N _2) _2Cl _2] compound 2; and [Zn _2(C _5H _6N _2) _2 (C _2H _3O _2) _6Mg] compound 3 were established by spectral and X-ray diffraction studies. These complexes form part of the project of design and synthesis of new alkaline-earth metal complexes with multiple applications in the fields of catalysis, material science and biochemistry. Compound 1 crystallizes in the monoclinic space group P2 _1/c with unit cell parameters a = 11.6918(11), b = 8.2850(8), c = 15.3472(15) ?, β = 96.4140(10)°, Z = 2. Compound 2 crystallizes in the orthorhombic space group Pccn with unit cell parameters a = 13.6485(13), b = 14.2962(14), c = 18.2459(18) ?, Z = 8. Compound 3 crystallizes in the monoclinic space group P2 _1/c with unit cell parameters a = 7.5531(8), b = 22.905(3), c = 8.7137(9) ?, Z = 2. All three structures (1-3) were solved by direct methods and refined to R = 0.0257, 0.0346 and 0.0244, respectively. For compound 1 crystallizes with the Ca ~(2+) ion coincident with crystallographic centre of symmetry forming a dimer. The Ca ~(2+) ion is six-fold coordinated by three acetate ligands. The Ca polyhedron may be described as a distorted tricapped trigonal prism. The Zn ~(2+) ion is four-fold coordinated by three O atoms from three acetate groups (atoms O _2, O _4 and O _5) and an N atom from the 2-aminopyridine moiety. The Zn polyhedral may be described as a distorted tetrahedral coordination. Compound 2 crystallizes as a crystallographic C _2-symmetric complex, in which each Zn ~(2+) ion is bound to two 4-dimethylaminopyridine units, and two Cl -1 ions. The tetracoordinated Zn atoms adopt a distorted tetrahedral geometry. Compound 3 crystallizes with the Mg ~(2+) ion coincident with crystallographic centre of symmetry forming a dimer. The Mg ~(2+) ion is octahedrally coordinated by six O atoms from three acetate groups. The Zn ~(2+) ions are in a tetrahedral geometry. In the crystal structures 1 and 3, the molecules are stabilized by N-H?O; C-H?O interactions. However in the crystal structure 2, the molecules are stabilized by C-H?Cl interactions.
机译：配合物[Zn _2（C _5H _6N _2）_2（C _2H _3O _2）_6Ca]的结构;化合物1; [Zn（C _7H _（10）N _2）_2Cl _2]化合物2;通过光谱和X射线衍射研究建立了[Zn _2（C _5H _6N _2）_2（C _2H _3O _2）_6Mg]化合物3。这些配合物是新的碱土金属配合物设计和合成项目的一部分，在催化，材料科学和生物化学领域具有多种应用。化合物1在单斜晶空间群P2 _1 / c中结晶，其晶胞参数为a = 11.6918（11），b = 8.2850（8），c = 15.3472（15）α，β= 96.4140（10）°，Z = 2。化合物2在单位晶胞参数a = 13.6485（13），b = 14.2962（14），c = 18.2459（18）α，Z = 8的正交晶体空间群Pccn中结晶。化合物3在单斜空间群P2 _1 /中结晶。 c的晶胞参数a = 7.5531（8），b = 22.905（3），c = 8.7137（9）α，Z =2。所有三个结构（1-3）通过直接方法求解，并精炼为R = 0.0257 ，分别为0.0346和0.0244。对于化合物1，用与对称的结晶学中心重合的Ca〜（2+）离子结晶，形成二聚体。 Ca〜（2+）离子由三个乙酸酯配体配成六倍配位。 Ca多面体可以描述为扭曲的三棱柱三角棱镜。 Zn〜（2+）离子由来自三个乙酸酯基团的三个O原子（原子O _2，O _4和O _5）和一个来自2-氨基吡啶部分的N原子四倍配位。 Zn多面体可以描述为扭曲的四面体配位。化合物2结晶为结晶的C _2对称配合物，其中每个Zn〜（2+）离子与两个4-二甲基氨基吡啶单元和两个Cl -1离子键合。四配位的Zn原子采用扭曲的四面体几何形状。化合物3用与对称的结晶学中心重合的Mg〜（2+）离子结晶，形成二聚体。 Mg〜（2+）离子由来自三个乙酸酯基团的六个O原子八面体配位。 Zn〜（2+）离子呈四面体几何形状。在晶体结构1和3中，分子被N-H 2 O稳定; C-H2O相互作用。但是，在晶体结构2中，分子通过C-H2Cl相互作用而稳定。

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