Sertçelik Mustafa, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m1010-1. doi: 10.1107/S1600536812028814. Epub 2012 Jun 30.
In the title complex, [Cu(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules in an elongated distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 23.00 (10)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 85.34 (4)°. An intra-molecular O-H⋯O hydrogen bond occurs between coordinating water mol-ecule and the carboxyl-ate group. In the crystal, N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. A weak C-H⋯π inter-action also occurs in the crystal.
在标题配合物[Cu(C₈H₅O₃)₂(C₆H₆N₂O)₂(H₂O)₂]中，Cu(II)阳离子位于一个对称中心上，由两个4-甲酰基苯甲酸根（FB）阴离子、两个烟酰胺（NA）配体和两个水分子以拉长的扭曲八面体几何构型配位。羧酸根基团与相邻苯环之间的二面角为23.00 (10)°，而吡啶环和苯环的二面角为85.34 (4)°。在配位水分子和羧酸根基团之间存在分子内O—H⋯O氢键。在晶体中，N—H⋯O、O—H⋯O和弱C—H⋯O氢键将分子连接成三维超分子网络。晶体中还存在弱C—H⋯π相互作用。
