Hökelek Tuncer, Dal Hakan, Tercan Barış, Ozbek F Elif, Necefoğlu Hacali
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 10;65(Pt 11):m1330-1. doi: 10.1107/S1600536809040392.
The asymmetric unit of the title complex, Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)(2), contains one-half of the complex cation with the Ni(II) atom located on an inversion center, and a 2-fluoro-benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni-O bond length of 2.079 Å, and the slightly distorted octa-hedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O-H⋯O, N-H⋯O, C-H⋯O, and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine and benzene rings [centroid-centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluoro-benzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15.
标题配合物Ni(C₆H₆N₂O)₂(H₂O)₄₂的不对称单元包含半个配合物阳离子，其中Ni(II)原子位于一个对称中心上，以及一个2-氟苯甲酸根(FB)抗衡阴离子。围绕Ni原子的赤道平面上的四个O原子形成一个略微扭曲的平面正方形排列，平均Ni-O键长为2.079 Å，轴向位置上烟酰胺(NA)配体的两个N原子完成了略微扭曲的八面体配位。羧基与相连苯环之间的二面角为28.28 (11)°，而吡啶环和苯环的二面角为8.31 (4)°。在晶体结构中，O-H⋯O、N-H⋯O、C-H⋯O和C-H⋯F氢键将分子连接成三维网络。吡啶环和苯环之间的π-π接触[质心-质心距离 = 3.626 (1) Å]可能进一步稳定晶体结构。2-氟苯甲酸根阴离子在两个取向之间无序，占有率为0.85:0.15。
