Song Wen-Dong, Wang Hao, Miao Yan-Li
College of Science, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 26;64(Pt 5):m716. doi: 10.1107/S1600536808010945.
In the title mononuclear complex, [Cu(C(8)H(7)O(2))Cl(C(12)H(8)N(2))(H(2)O)], the Cu(II) atom is coordinated by one carboxylate O atom from a monodentate 4-methyl-benzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water mol-ecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intra-molecular C-H⋯Cl, C-H⋯O, O-H⋯Cl and O-H⋯O hydrogen bonds, as well as C-H⋯π inter-actions of phenanthroline and methyl H atoms towards the π-systems of neighboring 4-methyl-benzoate units and the pyridine rings of the phenanthroline system [centroid-centroid distances are 2.706 (2) and 2.992 (1) Å, respectively].
在标题单核配合物[Cu(C₈H₇O₂)Cl(C₁₂H₈N₂)(H₂O)]中，Cu(II)原子由一个单齿4-甲基苯甲酸酯配体的一个羧酸根O原子、1,10-菲咯啉配体的两个N原子、一个氯离子和一个水分子以四方锥几何构型配位。晶体结构呈现出分子间和分子内的C-H⋯Cl、C-H⋯O、O-H⋯Cl和O-H⋯O氢键，以及菲咯啉的C-H⋯π相互作用和甲基H原子与相邻4-甲基苯甲酸酯单元的π体系以及菲咯啉体系的吡啶环之间的相互作用[质心-质心距离分别为2.706 (2)和2.992 (1) Å]。
