Song Wen-Dong, Fan Run-Zhen, Wu Hong-Mian
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 10;64(Pt 5):m648. doi: 10.1107/S1600536808009471.
In the mononuclear title compound, [Ni(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)], the Ni(II) atom is coordinated by three carboxylate O atoms (from a bidentate 4-methyl-benzoate ligand and a monodentate 4-methyl-benzoate ligand), two N atoms (from two imidazole ligands) and a water mol-ecule in an octa-hedral geometry. Inter-molecular O-H⋯O hydrogen-bonding inter-actions lead to infinite chains, which are further self-assembled into a supra-molecular network through inter-molecular N-H⋯O hydrogen-bonding inter-actions and π-π stacking [centroid-centroid distance = 3.717 (2) Å].
在单核标题化合物[Ni(C₈H₇O₂)₂(C₃H₄N₂)₂(H₂O)]中，Ni(II)原子由三个羧酸根O原子（来自一个双齿4-甲基苯甲酸酯配体和一个单齿4-甲基苯甲酸酯配体）、两个N原子（来自两个咪唑配体）和一个水分子以八面体几何构型配位。分子间的O—H⋯O氢键相互作用导致形成无限链，这些链通过分子间的N—H⋯O氢键相互作用和π-π堆积[质心-质心距离 = 3.717 (2) Å]进一步自组装成超分子网络。
