Ni Sheng-Liang, Zhao Ming-Xing, Ge Hai-Xia
Department of Chemistry, Huzhou Teachers College, Huzhou, Zhejiang 313000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1123-4. doi: 10.1107/S160053681102839X. Epub 2011 Jul 23.
The structure of the title compound, [Cu(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(C(8)H(8)O(2))(2)], consists of centrosymmetric monomeric units, in which the Cu(II) atom has a tetra-gonally distorted octa-hedral coordination involving two imidazole N atoms and two carboxyl-ate O atoms in the square plane [Cu-N = 1.964 (3) and Cu-O = 1.960 (2) Å] and 2-methyl-benzoic acid O atoms in axial sites [Cu-O = 2.753 (3) Å]. Within the complex, the carb-oxy-lic acid forms intra-molecular O-H⋯O hydrogen bonds, while the mol-ecules are assembled through N-H⋯O(carbox-yl) hydrogen bonds into chains extending along the a-axis direction. These chains are further linked by weak π-π inter-actions [centroid-centroid separation = 3.930 (2) Å].
标题化合物[Cu(C₈H₇O₂)₂(C₃H₄N₂)₂(C₈H₈O₂)₂]的结构由中心对称的单体单元组成，其中Cu(II)原子具有四方畸变的八面体配位，在正方形平面中涉及两个咪唑N原子和两个羧酸根O原子[Cu-N = 1.964 (3) Å，Cu-O = 1.960 (2) Å]，在轴向位置有2-甲基苯甲酸O原子[Cu-O = 2.753 (3) Å]。在配合物中，羧酸形成分子内O-H⋯O氢键，而分子通过N-H⋯O(羧基)氢键组装成沿a轴方向延伸的链。这些链通过弱π-π相互作用进一步连接[质心-质心间距 = 3.930 (2) Å]。
