Hökelek Tuncer, Dal Hakan, Tercan Barış, Ozbek F Elif, Necefoğlu Hacali
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):m607-8. doi: 10.1107/S1600536809015645.
The title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Zn atom on an inversion center. The mol-ecule contains two 2-bromo-benzoate (BB) 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 Zn 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 31.14 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. A weak C-H⋯π inter-action is also present.
标题化合物 Zn(II) 配合物 [Zn(C₇H₄BrO₂)₂(C₆H₆N₂O)₂(H₂O)₂] 是中心对称的，锌原子位于对称中心上。该分子包含两个 2 - 溴苯甲酸根（BB）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。锌原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，而轴向位置上的两个 NA 配体的氮原子则使配位环境略微扭曲为八面体。羧基与相邻苯环之间的二面角为 31.14 (12)°，吡啶环与苯环的二面角为 83.54 (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状结构。同时还存在一个弱的 C—H⋯π 相互作用。
