Liu Ji-Zhong, Zhang Zhong, Shi Zhan-Wang, Gao Peng
Department of Chemistry, Guangxi University for Nationalities, Nanning 530006, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 4;67(Pt 1):m30. doi: 10.1107/S1600536810049639.
The Zn atom in the title compound, [Zn(C(7)H(5)O(2))(2)(C(12)H(8)N(2))(H(2)O)], is five-coordinate in a distorted trigonal-bipyramidal coordination environment involving two O atoms of two monodentate benzoates, two N atoms of a 1,10-phenanthroline mol-ecule and one O atom of a water mol-ecule. The axial positions are occupied by a carboxyl-ate O atom from the benzoate ligand and an N atom from the 1,10-phenanthroline ligand [N-Zn-O = 146.90 (7)°]. The water mol-ecule forms an intra-molecular O-H⋯O hydrogen bond; an inter-molecular O-H⋯O hydrogen bond gives rise to a dimer.
在标题化合物[Zn(C₇H₅O₂)₂(C₁₂H₈N₂)(H₂O)]中，锌原子呈五配位，处于扭曲的三角双锥配位环境，涉及两个单齿苯甲酸酯的两个氧原子、一个1,10 - 菲咯啉分子的两个氮原子和一个水分子的一个氧原子。轴向位置由来自苯甲酸酯配体的一个羧酸根氧原子和来自1,10 - 菲咯啉配体的一个氮原子占据[N - Zn - O = 146.90 (7)°]。水分子形成分子内O - H⋯O氢键；分子间O - H⋯O氢键导致形成二聚体。
