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二水双(2-溴苯甲酸根-κO)双(烟酰胺-κN)镍(II)

Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

作者信息

Hökelek Tuncer, Yılmaz Filiz, Tercan Barış, Ozbek F Elif, Necefoğlu Hacali

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):m768-9. doi: 10.1107/S1600536809021710.

Abstract

The title Ni(II) complex, [Ni(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric. It contains two 2-bromo-benzoate (BB) ligands, two nicotinamide (NA) ligands and two water mol-ecules, all of them 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 30.81 (17)°, while the pyridine and benzene rings are oriented at a dihedral angle of 84.66 (6)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular structure. A weak C-H⋯π inter-action is also found.

摘要

标题化合物Ni(II)配合物[Ni(C₇H₄BrO₂)₂(C₆H₆N₂O)₂(H₂O)₂]是中心对称的。它包含两个2-溴苯甲酸(BB)配体、两个烟酰胺(NA)配体和两个水分子,它们均为单齿配体。围绕Ni原子的赤道平面上的四个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30.81 (17)°,而吡啶环和苯环的二面角为84.66 (6)°。在晶体结构中,O—H⋯O和N—H⋯O氢键将分子连接成超分子结构。还发现了一种弱的C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/55e9/2969345/16883b344878/e-65-0m768-fig1.jpg

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