Hökelek Tuncer, Dal Hakan, Tercan Barış, Ozbek F Elif, Necefoğlu Hacali
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 31;65(Pt 4):m466-7. doi: 10.1107/S1600536809011209.
The title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion centre. The mol-ecule contains two 2-chloro-benzoate (CB) and two nicotinamide (NA) ligands and two 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 group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C-H⋯π inter-action.
标题为Ni(II)配合物[Ni(C₇H₄ClO₂)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2 - 氯苯甲酸酯（CB）和两个烟酰胺（NA）配体以及两个水分子，所有配体均为单齿配体。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。羧基与相邻苯环之间的二面角为29.48 (16)°，而吡啶环和苯环的二面角为83.16 (5)°。在晶体结构中，O - H⋯O和N - H⋯O氢键将分子连接成无限链。苯环和吡啶环之间的π - π接触[质心 - 质心距离 = 3.952 (1) Å]可能进一步稳定晶体结构。还存在C - H⋯π相互作用。
