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二水合双(2-氯苯甲酸根-κO)双(N,N-二乙基烟酰胺-κN)镍(II)

Diaqua-bis(2-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)nickel(II).

作者信息

Hökelek Tuncer, Dal Hakan, Tercan Barış, Ozbek F Elif, Necefoğlu Hacali

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 22;65(Pt 5):m545-6. doi: 10.1107/S1600536809014226.

DOI:10.1107/S1600536809014226
PMID:21583781
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977595/
Abstract

In the monomeric and centrosymmetric title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Ni(II) ion is located on an inversion center. The asymmetric unit contains one 2-chloro-benzoate ligand, one diethyl-nicotinamide (DENA) ligand and one coordinating water mol-ecule, the ligands being monodentate. The four O atoms in the equatorial plane around the Ni(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by two N atoms of the DENA ligands in axial positions. The dihedral angle between the benzene ring and the attached carboxyl-ate group is 87.36 (10)°, while the pyridine and benzene rings are oriented at an angle of 41.90 (5)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (10).

摘要

在单体且具有中心对称性的标题镍(II)配合物[Ni(C₇H₄ClO₂)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]中,镍(II)离子位于一个对称中心上。不对称单元包含一个2-氯苯甲酸酯配体、一个二乙烟酰胺(DENA)配体和一个配位水分子,这些配体均为单齿配体。镍(II)离子周围赤道平面上的四个氧原子形成略微扭曲的平面正方形排列,而轴向位置的DENA配体的两个氮原子则使这种略微扭曲的八面体配位得以完整。苯环与相连的羧酸根基团之间的二面角为87.36(10)°,而吡啶环和苯环的取向角度为41.90(5)°。在晶体结构中,分子间的O—H⋯O氢键将分子连接成平行于(10)的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f7/2977595/fad3ffacc91e/e-65-0m545-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f7/2977595/fad3ffacc91e/e-65-0m545-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f7/2977595/fad3ffacc91e/e-65-0m545-fig1.jpg

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