Necefoğlu Hacali, Ozbek Füreya Elif, Oztürk Vijdan, Adıgüzel Vedat, Hökelek Tuncer
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1317-8. doi: 10.1107/S1600536811034787. Epub 2011 Aug 31.
The title Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-bromo-benzoate (PBB), two diethyl-nicotinamide (DENA) monodentate ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by two N atoms of the DENA ligands in the axial positions. Intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 3.1 (3) and 3.74 (17)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.81 (10) and 3.38 (12)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into double chains along the b axis. C-H⋯O inter-actions are also observed. π-π contacts between pyridine rings [centroid-centroid distance = 3.485 (2) Å] may further stabilize the crystal structure.
标题为Cu(II)配合物，[Cu(C₇H₄BrO₂)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]，包含两个4-溴苯甲酸酯（PBB）、两个二乙烟酰胺（DENA）单齿配体和两个水分子。围绕Cu(II)离子的赤道平面上的四个O原子形成略微扭曲的正方形平面排列，而轴向位置上的DENA配体的两个N原子则完成了略微扭曲的八面体配位。分子内O-H⋯O氢键将水分子与羧酸根基团相连。羧酸根基团与相邻苯环之间的二面角为3.1 (3)°和3.74 (17)°，而吡啶环与苯环的二面角为6.81 (10)°和3.38 (12)°。在晶体中，分子间O-H⋯O氢键将分子沿b轴连接成双链。还观察到C-H⋯O相互作用。吡啶环之间的π-π接触[质心-质心距离 = 3.485 (2) Å]可能进一步稳定晶体结构。
