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四-双[μ-4-(二乙氨基)苯甲酸根-κO:O']双[(N,N-二乙基烟酰胺-κN)锌(II)]

Tetra-kis[μ-4-(diethyl-amino)benzoato-κO:O']bis-[(N,N-diethyl-nicotinamide-κN)zinc(II)].

作者信息

Hökelek Tuncer, Yılmaz Filiz, Tercan Barış, Aybirdi Ozgür, Necefoğlu Hacali

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):m955-6. doi: 10.1107/S1600536809027986.

Abstract

In the centrosymmetric binuclear title complex, [Zn(2)(C(11)H(14)NO(2))(4)(C(10)H(14)N(2)O)(2)], the two Zn(II) ions [Zn⋯Zn = 2.8874 (3) Å] are bridged by four 4-(diethyl-amino)benzoate (DEAB) ligands. The four nearest O atoms around each Zn(II) ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the pyridine N atom of an N,N-diethyl-nicotinamide (DENA) ligand at a distance of 2.0484 (12) Å. The dihedral angle between the benzene ring and the carboxyl-ate group is 4.89 (6)° in one of the independent DEAB ligands and 7.13 (7)° in the other. The benzene rings of the two independent DEAB ligands are oriented at a dihedral angle of 86.58 (5)°. The pyridine ring is oriented at dihedral angles of 31.17 (4) and 58.38 (4)° with respect to the two benzene rings. In the crystal, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into a three-dimensional network. Two weak C-H⋯π inter-actions are also present. The two ethyl groups of one of the DEAB ligands are disordered over two orientations, with occupancy ratios of 0.798 (5):0.202 (5) and 0.890 (5):0.110 (5).

摘要

在中心对称的双核标题配合物[Zn₂(C₁₁H₁₄NO₂)₄(C₁₀H₁₄N₂O)₂]中,两个Zn(II)离子[Zn⋯Zn = 2.8874 (3) Å]由四个4-(二乙氨基)苯甲酸酯(DEAB)配体桥联。每个Zn(II)离子周围的四个最近邻O原子形成一个扭曲的平面正方形排列,扭曲的正方锥配位由N,N-二乙基烟酰胺(DENA)配体的吡啶N原子在2.0484 (12) Å的距离处完成。在一个独立的DEAB配体中,苯环与羧酸酯基团之间的二面角为4.89 (6)°,在另一个中为7.13 (7)°。两个独立的DEAB配体的苯环以86.58 (5)°的二面角取向。吡啶环相对于两个苯环的二面角分别为31.17 (4)°和58.38 (4)°。在晶体中,弱的分子间C-H⋯O相互作用将分子连接成三维网络。还存在两个弱的C-H⋯π相互作用。其中一个DEAB配体的两个乙基在两个取向上无序,占有率比为0.798 (5):0.202 (5)和0.890 (5):0.110 (5)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/039b/2977087/ce2c3d7dcbc9/e-65-0m955-fig1.jpg

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