Hökelek Tuncer, Dal Hakan, Tercan Barış, Tenlik Erdinç, Necefoğlu Hacali
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 7;66(Pt 8):m891-2. doi: 10.1107/S1600536810025985.
In the mononuclear title compound, [Ni(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) ion is located on a crystallographic inversion center. The asymmetric unit further contains one 4-meth-oxy-benzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around the Ni(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 NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 7.2 (1)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)°. An intra-molecular O-H⋯O hydrogen bond links the uncoordinated water mol-ecule to one of the carboxyl-ate groups. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.
在单核标题化合物[Ni(C₈H₇O₃)₂(C₆H₆N₂O)₂(H₂O)₂]·2H₂O中，Ni(II)离子位于晶体学反演中心。不对称单元还包含一个4-甲氧基苯甲酸根阴离子、一个烟酰胺（NA）配体以及一个配位水分子和一个未配位水分子；所有配体均为单齿配体。围绕Ni(II)离子的赤道平面上的四个O原子形成略微扭曲的平面正方形排列，而轴向位置的NA配体的两个吡啶N原子则使配位稍微扭曲为八面体。羧酸根基团与相连苯环之间的二面角为7.2 (1)°，而吡啶环和苯环的二面角为72.80 (4)°。分子内O—H⋯O氢键将未配位水分子与其中一个羧酸根基团相连。在晶体结构中，分子间的O—H⋯O、N—H⋯O和C—H⋯O氢键将分子连接成三维网络。
