首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Diaqua­bis­(nitrato-κ2OO′)bis­(pyrazine-2-carboxamide-κN4)cadmium–pyrazine-2-carboxamide (1/2)
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Diaqua­bis­(nitrato-κ2OO′)bis­(pyrazine-2-carboxamide-κN4)cadmium–pyrazine-2-carboxamide (1/2)

机译:Diaqua­bis(nitrato-κ2OO)bis­(吡嗪-2-羧酰胺-κN4)镉–吡嗪-2-羧酰胺(1/2)

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摘要

In the title compound, [Cd(NO3)2(C5H5N3O)2(H2O)2]·2C5H5N3O, the CdII cation is located on a twofold rotation axis and is coordinated by two pyrazine-2-carboxamide ligands and two water mol­ecules and chelated by two nitrate anions in a distorted square-anti­prismatic geometry. Extensive inter­molecular N—H⋯O, N—H⋯N, O—H⋯O and O—H⋯N hydrogen bonds, as well as weak inter­molecular C—H⋯N and C—H⋯O inter­actions occur in the crystal. π–π stacking between between pyrazine rings of coordinating ligands and lattice molecules [centroid–centroid distance = 3.5669 (14) Å] may further stabilize the structure.
机译:在标题化合物[Cd(NO3)2(C5H5N3O)2(H2O)2]·2C5H5N3O中,Cd II 阳离子位于两倍旋转轴上,并与两个吡嗪-2-配位。羧酰胺配体和两个水分子,被扭曲成方形反棱角的两个硝酸根阴离子螯合。晶体中发生广泛的分子间NH-O,NH-N,OH-O和OHN氢键,以及弱的CH-H⋯N和CHH分子间相互作用。配位体的吡嗪环与晶格分子之间的π-π堆积[质心-质心距离= 3.5669(14)Å]可以进一步稳定结构。

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