Bozkurt Nihat, Dilek Nefise, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer
Kafkas University, Department of Chemistry, 63100 Kars, Turkey.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):m356-7. doi: 10.1107/S1600536813014694. eCollection 2013.
The mol-ecule of the title Cu(II) complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chloro-benzoate (CB) and two nicotinamide (NA) ligands; the CB act as bidentate ligands, while the NA are monodentate ligands. The resulting CuN2O4 coordination polyhedron is a considerably distorted octahedron. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 17.92 (12) and 24.69 (16)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 52.20 (8) and 1.56 (6)°. In the crystal, N-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. The π-π contact between the benzene rings [centroid-centroid distance = 3.982 (2) Å] may further stabilize the crystal structure.
标题为[Cu(C₇H₄ClO₂)₂(C₆H₆N₂O)₂]的铜(II)配合物分子包含两个3-氯苯甲酸酯（CB）和两个烟酰胺（NA）配体；CB作为双齿配体，而NA是单齿配体。所得的CuN₂O₄配位多面体是一个严重扭曲的八面体。羧酸酯基团与相邻苯环之间的二面角为17.92 (12)°和24.69 (16)°，而两个苯环和两个吡啶环的二面角分别为52.20 (8)°和1.56 (6)°。在晶体中，N-H⋯N和C-H⋯O氢键将分子连接成三维网络。苯环之间的π-π接触[质心-质心距离 = 3.982 (2) Å]可能进一步稳定晶体结构。
