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二水合双(4-甲基氨基苯甲酸根-κO)双(烟酰胺-κN)镍(II)

Diaqua-bis(4-methyl-amino-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

作者信息

Hökelek Tuncer, Dal Hakan, Tercan Barış, Aybirdi Ozgür, Necefoğlu Hacali

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):m605-6. doi: 10.1107/S1600536809015633.

Abstract

The title Ni(II) complex, [Ni(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom on an inversion center. The mol-ecule contains two 4-methyl-amino-benzoate (MAB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

摘要

标题为Ni(II)配合物[Ni(C₈H₈NO₂)₂(C₆H₆N₂O)₂(H₂O)₂],具有中心对称性,Ni原子位于对称中心上。该分子包含两个4-甲基氨基苯甲酸酯(MAB)和两个烟酰胺(NA)配体以及两个配位水分子,所有配体均为单齿配体。围绕Ni原子的赤道平面中的四个O原子形成略微扭曲的平面正方形排列,而轴向位置的NA配体的两个N原子则完成了略微扭曲的八面体配位。羧酸根基团与相邻苯环之间的二面角为2.09 (14)°,而吡啶环和苯环的二面角为66.15 (4)°。在晶体结构中,分子间的O-H⋯O和N-H⋯O氢键将分子连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0354/2977638/c2dd8b337b5e/e-65-0m605-fig1.jpg

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