首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Di­aqua­sesqui(nitrato-κO)hemi(perchlorato-κO)copper(II)-μ-{bis­5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl selenide}-tri­aqua­(perchlorato-κO)copper(II) nitrate monohydrate
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Di­aqua­sesqui(nitrato-κO)hemi(perchlorato-κO)copper(II)-μ-{bis­5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl selenide}-tri­aqua­(perchlorato-κO)copper(II) nitrate monohydrate

机译:Diaquasesqui(nitrato-κO)hemi(perchlorato-κO)copper(II)-μ-{bis 5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl selenide}-三水合(高氯酸钾)铜硝酸盐

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摘要

In the binuclear title complex, [Cu2(ClO4)1.5(NO3)1.5(C18H16N6Se)(H2O)5]NO3·H2O, both CuII ions are hexa­coordinated by O and N atoms, thus forming axially elongated CuO4N2 octa­hedra. The equatorial plane of each octa­hedron is formed by one chelating pyrazole–pyridine fragment of the organic ligand and two water mol­ecules. The axial positions in one octa­hedron are occupied by a water mol­ecule and a monodentately coordinated perchlorate anion, while those in the other are occupied by a nitrate anion and a disordered perchlorateitrate anion with equal site occupancy. The pyrazole–pyridine units of the organic selenide are trans-oriented to each other with a C—Se—C angle of 96.01 (14)°. In the crystal, uncoordinated nitrate anions and the coordinating water mol­ecules are involved in O—H⋯O and N—H⋯O hydrogen bonds, forming a bridge between the pyrazole group and the coordinating water mol­ecules. Further O—H⋯O hydrogen bonds between the complex mol­ecules and a π–π stacking inter­action with a centroid–centroid distance of 3.834 (4) Å are also observed.
机译:在双核标题化合物[Cu2(ClO4)1.5(NO3)1.5(C18H16N6Se)(H2O)5] NO3·H2O中,两个Cu II 离子均被O和N原子六配位,从而轴向形成细长的CuO4N2八面体。每个八面体的赤道面由有机配体的一个螯合吡唑-吡啶片段和两个水分子形成。一个八面体中的轴向位置被一个水分子和一个单齿配位的高氯酸根阴离子占据,而另一个八面体中的轴向位置被一个硝酸根阴离子和一个无序高氯酸根/硝酸根阴离子占据,并且具有相同的位点占有率。有机硒化物中的吡唑-吡啶单元以96.01(14)°的C-Se-C角相互反取向。在晶体中,未配位的硝酸根阴离子和配位水分子参与O-H = O和N-H = O氢键,从而在吡唑基和配位水分子之间形成桥连。还观察到了复合分子之间的进一步的OH氢键和质心间距离为3.834(4)Å的π-π堆积相互作用。

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