Hökelek Tuncer, Dal Hakan, Tercan Barış, Aybirdi Ozgür, Necefoğlu Hacali
Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):m627-8. doi: 10.1107/S1600536809016602.
The title Co(II) complex, [Co(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-dimethyl-amino-benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol-ecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Co atom form a highly distorted square-planar arrangement, while the distorted octa-hedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water mol-ecule in the axial positions. An intra-molecular O-H⋯O hydrogen bond between the monodentate-coordinated carboxyl group and a coordinated water mol-ecule results in a six-membered ring with an envelope conformation. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 4.29 (10)° for the monodentate ligand and 2.31 (13)° for the bidentate ligand, while the two benzene rings are oriented at a dihedral angle of 65.02 (5)°. The dihedral angles between the pyridine and benzene rings are 11.21 (5)° for the monodentate ligand and 74.60 (5)° for the bidentate ligand. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular structure.
钴(II)配合物[Co(C₉H₁₀NO₂)₂(C₆H₆N₂O)(H₂O)₂]包含两个4-二甲基氨基苯甲酸根(DMAB)阴离子、一个异烟酰胺(INA)配体和两个配位水分子。其中一个DMAB阴离子作为双齿配体,另一个为单齿配体。钴原子周围赤道平面上的四个氧原子形成高度扭曲的平面正方形排列,而扭曲的八面体配位几何结构由轴向位置的INA配体的氮原子和第二个水分子的氧原子完成。单齿配位羧基与配位水分子之间的分子内O-H⋯O氢键形成一个具有信封构象的六元环。单齿配体的羧基与相邻苯环之间的二面角为4.29 (10)°,双齿配体为2.31 (13)°,而两个苯环的二面角为65.02 (5)°。单齿配体的吡啶环与苯环之间的二面角为11.21 (5)°,双齿配体为74.60 (5)°。在晶体结构中,分子间的O-H⋯O、O-H⋯N和N-H⋯O氢键将分子连接成超分子结构。