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水合双(1H-咪唑-κN)双(4-甲基苯甲酸根)-κO;κO,O'-镍(II)

Aqua-bis(1H-imidazole-κN)bis-(4-methyl-benzoato)-κO;κO,O'-nickel(II).

作者信息

Song Wen-Dong, Fan Run-Zhen, Wu Hong-Mian

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 10;64(Pt 5):m648. doi: 10.1107/S1600536808009471.

Abstract

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].

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b334/2961080/525c38f2556e/e-64-0m648-fig1.jpg

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