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反式-四水合双(异烟酰胺-κN)镍(II)双(3-羟基苯甲酸酯)四水合物

trans-Tetra-aqua-bis-(isonicotinamide-κN)nickel(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

作者信息

Zaman Ibrahim Göker, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m200-1. doi: 10.1107/S1600536812002218. Epub 2012 Jan 21.

Abstract

The asymmetric unit of the title compound, Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)(2)·4H(2)O, contains one-half of the complex cation with the Ni(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinated water mol-ecules. Four water O atoms in the equatorial plane around the Ni(II) ion [Ni-O = 2.052 (2) and 2.079 (2) Å] form a slightly distorted square-planar arrangement, which is completed up to a distorted octa-hedron by the two N atoms [Ni-N = 2.075 (3) Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring by 8.8 (3)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H⋯O and N-H⋯O hydrogen bonds, consolidates the crystal packing, which also exhibits π-π inter-actions between the benzene and pyridine rings, with centroid-centroid distances of 3.455 (2) and 3.621 (2) Å, respectively.

摘要

标题化合物Ni(C₆H₆N₂O)₂(H₂O)₄₂·4H₂O的不对称单元包含半个配合物阳离子,其中Ni(II)离子位于一个对称中心上,一个3-羟基苯甲酸根抗衡阴离子和两个未配位的水分子。围绕Ni(II)离子的赤道平面上的四个水分子O原子[Ni - O = 2.052 (2) 和2.079 (2) Å]形成略微扭曲的平面正方形排列,来自两个异烟酰胺配体的两个N原子[Ni - N = 2.075 (3) Å]将其补充成一个扭曲的八面体。在阴离子中,羧酸根基团与相连的苯环扭转了8.8 (3)°。在晶体中,由经典的O - H⋯O和N - H⋯O氢键形成的三维氢键网络巩固了晶体堆积,晶体中还存在苯环和吡啶环之间的π - π相互作用,质心间距分别为3.455 (2) 和3.621 (2) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76e4/3274920/d3d00193368b/e-68-0m200-fig1.jpg

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