首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of aqua­{μ-N-3-(di­methyl­amino)­prop­yl-N′-2-(oxidophen­yl)oxamidato}(110-phen­anthroline-56-dione)dicopper(II) perchlorate hemihydrate
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Crystal structure of aqua­{μ-N-3-(di­methyl­amino)­prop­yl-N′-2-(oxidophen­yl)oxamidato}(110-phen­anthroline-56-dione)dicopper(II) perchlorate hemihydrate

机译:­ {μ-N-3-(二­甲基­氨基)­丙酰基 -N-2-(氧苯­基)氧酰胺基}(110-菲咯啉-56-二酮)双氯铜(II)半水合物的晶体结构

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摘要

The title compound, [Cu2(C13H16N3O3)(C12H6N2O2)(H2O)]ClO4·0.5H2O, consists of a cis-oxamide-bridged binuclear CuII complex cation, a perchlorate anion and half a solvent water mol­ecule. One CuII cation is N,N′,N",O-chelated by an N-[3-(di­methyl­amino)­prop­yl]-N′-(2-hy­droxy­phen­yl)oxamide trianion in a distorted square-planar geometry, whereas the other CuII cation is O,O′-chelated by the oxamide moiety of the anion and N,N′-chelated by a 1,10-phenanthroline-5,6-dione mol­ecule, and a water mol­ecule further coordinates the second CuII cation, completing a distorted square-pyramidal coordination geometry. In the crystal, classical O—H⋯O hydrogen bonds, weak C—H⋯O hydrogen-bonding inter­actions and π–π stacking inter­actions link the complex cations, anions and solvent water mol­ecules into a three-dimensional supra­molecular architecture. In the crystal, the di­methyl­amino­propyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water mol­ecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10).
机译:标题化合物[Cu2(C13H16N3O3)(C12H6N2O2)(H2O)] ClO4·0.5H2O由顺式乙酰胺桥连的双核Cu II 络合阳离子,高氯酸根阴离子和一半溶剂水组成分子。一个Cu II 阳离子是N,N',N“,O-被N- [3-(二甲基氨基)丙基] -N'-(2-羟基苯基)乙酰胺三阴离子在扭曲的正方形中螯合平面几何形状,而另一个Cu II 阳离子则被阴离子的氧酰胺部分螯合,O,O'被1,10-菲咯啉-5,6-所螯合,N,N'二酮分子和水分子进一步配位第二个Cu II 阳离子,形成扭曲的方金字塔配位几何结构,在晶体中,经典的O-H⋯O氢键,弱的C-H⋯O氢键相互作用和π-π堆积相互作用将复杂的阳离子,阴离子和溶剂水分子连接成三维超分子结构,在晶体中,草酰胺阴离子的二甲基氨基丙基单元在两个位置上无序排列,占有率为0.561 (11):0.439(11);溶剂水分子在两个位置上也无序,占有率为0.207(10):0.293(10)。

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