Necefoğlu Hacali, Cimen Efdal, Tercan Barış, Ermiş Emel, Hökelek Tuncer
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 21;66(Pt 5):m556-7. doi: 10.1107/S1600536810013954.
In the centrosymmetric mononuclear title complex, [Co(C(8)H(7)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on an inversion center. The asymmetric unit contains one 4-methyl-benzoate (PMB) anion, one N,N-diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.73 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.28 (6)°. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001). The structure is further stabilized by π-π contacts between the pyridine rings [centroid-centroid distance = 3.544 (1) Å] and weak C-H⋯π inter-actions involving the benzene ring.
在中心对称单核标题配合物[Co(C₈H₇O₂)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]中,Co(II)离子位于一个对称中心上。不对称单元包含一个4-甲基苯甲酸根(PMB)阴离子、一个N,N-二乙基烟酰胺(DENA)配体和一个配位水分子。Co(II)离子周围赤道平面上的四个O原子形成略微扭曲的平面正方形排列,而轴向位置上DENA配体的两个吡啶N原子则完成了略微扭曲的八面体配位。羧酸根基团与相连苯环之间的二面角为3.73 (14)°,而吡啶环与苯环的二面角为77.28 (6)°。在晶体结构中,分子间的O-H⋯O和C-H⋯O氢键将分子连接成平行于(001)的二维网络。吡啶环之间的π-π接触[质心-质心距离 = 3.544 (1) Å]以及涉及苯环的弱C-H⋯π相互作用进一步稳定了该结构。