Li Jun-Hua, Nie Jing-Jing, Su Jian-Rong, Xu Duan-Jun
Department of Chemistry, Zhejiang University, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 23;64(Pt 2):m382-3. doi: 10.1107/S1600536808001815.
The crystal structure of the title compound, Co(C(7)H(5)O(3))(C(12)H(8)N(2))(2)(H(2)O)·5H(2)O, consists of Co(II) complex cations, uncoordinated hydroxy-benzoate anions and uncoord-inated water mol-ecules. The Co(II) ion is coordinated by two phenanthroline ligands, a water mol-ecule and a 3-hydroxy-benzoate anion, and displays a distorted octa-hedral geometry. π-π stacking is observed between parallel phenanthroline ligands, the face-to-face separations being 3.454 (19) and 3.435 (7) Å. An extensive hydrogen-bonding network helps to stabilize the crystal structure. The hydroxybenzoate ligand is disordered over two positions, with site occupancy factors 0.6 and 0.4. One solvent water molecule is also disordered over two positions, with site occupancy factors 0.6 and 0.4.
标题化合物Co(C₇H₅O₃)(C₁₂H₈N₂)₂(H₂O)·5H₂O的晶体结构由Co(II)络合阳离子、未配位的羟基苯甲酸根阴离子和未配位的水分子组成。Co(II)离子由两个菲咯啉配体、一个水分子和一个3-羟基苯甲酸根阴离子配位,呈现出扭曲的八面体几何构型。在平行的菲咯啉配体之间观察到π-π堆积,面对面间距为3.454(19)和3.435(7) Å。广泛的氢键网络有助于稳定晶体结构。羟基苯甲酸配体在两个位置上无序,占有率分别为0.6和0.4。一个溶剂水分子也在两个位置上无序,占有率分别为0.6和0.4。