Sertçelik Mustafa, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1067-8. doi: 10.1107/S1600536812031200. Epub 2012 Jul 14.
In the title complex, [Zn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate anions, two N,N-diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.96 (11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26 (4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H⋯O hydrogen bond. In the crystal, O-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. A π-π contact between the parallel pyridine rings of adjacent mol-ecules may further stabilize the crystal structure [centroid-centroid distance = 3.5654 (8) Å].
在标题配合物[Zn(C₈H₅O₃)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]中,Zn(II)阳离子位于一个对称中心上,由两个4-甲酰基苯甲酸根阴离子、两个N,N-二乙基烟酰胺(DENA)配体和两个水分子配位。围绕Zn(II)阳离子的赤道平面中的四个O原子形成略微扭曲的平面正方形排列,而轴向位置的DENA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2.96 (11)°,而吡啶环与苯环的二面角为79.26 (4)°。配位水分子通过分子内O—H⋯O氢键与羧酸根基团相连。在晶体中,O—H⋯O和弱C—H⋯O氢键将分子连接成三维超分子网络。相邻分子的平行吡啶环之间的π-π接触可能进一步稳定晶体结构[质心-质心距离 = 3.5654 (8) Å]。