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一水合草尿酸钾

Potassium oxalurate monohydrate.

作者信息

Zhang Lian-Feng

机构信息

College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang 473061, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 21;65(Pt 3):m308-9. doi: 10.1107/S1600536809005637.

DOI:10.1107/S1600536809005637
PMID:21582086
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968634/
Abstract

The title salt, poly[aqua-μ(3)-oxalurato-potassium(I)], K(C(3)H(3)N(2)O(4))(H(2)O), which was obtained from a water solution of oxaluric acid and KOH at room temperature, crystallizes as potassium and oxalurate ions along with a water mol-ecule. The K(+) cation lies on a crystallographic twofold rotation axis (site symmetry 2, Wyckoff position f), and the water and oxalurate mol-ecules are located within different mirror planes (site symmetry m, Wyckoff position g). The K(+) cation is eight-coordinated by six O atoms of six oxalurate ligands and two O atoms from two water mol-ecules in a distorted square-anti-prismatic geometry. All of the eight coordinated O atoms are in a monodentate bridging mode, with alternate bridged K⋯K distances of 3.5575 (12) and 3.3738 (12) Å. The oxalurate ligand shows a μ(3)-bridging coordination mode, which links the K(+) cation into a three-dimensional network. The oxalurate ligands and the water mol-ecules are involved in inter- and intra-molecular N-H⋯O, and O-H⋯O hydrogen bonds, which stabilize the network.

摘要

标题盐聚[水-μ(3)-草尿酸根合钾(I)],[K(C₃H₃N₂O₄)(H₂O)]ₙ,是在室温下由草尿酸水溶液和氢氧化钾反应得到的,它以钾离子、草尿酸根离子和一个水分子的形式结晶。钾离子位于一个晶体学二重旋转轴上(点群对称2,Wyckoff位置f),水分子和草尿酸根分子位于不同的镜面内(点群对称m,Wyckoff位置g)。钾离子通过六个草尿酸根配体的六个氧原子和两个水分子的两个氧原子以扭曲的四方反棱柱几何构型进行八配位。所有八个配位氧原子均以单齿桥连模式存在,相邻桥连的K⋯K距离分别为3.5575 (12)和3.3738 (12) Å。草尿酸根配体呈现μ(3)-桥连配位模式,将钾离子连接成三维网络。草尿酸根配体和水分子参与分子间和分子内的N-H⋯O以及O-H⋯O氢键作用,从而稳定了该网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e769/2968634/5f18f521db76/e-65-0m308-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e769/2968634/7d36292d96ed/e-65-0m308-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e769/2968634/5f18f521db76/e-65-0m308-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e769/2968634/7d36292d96ed/e-65-0m308-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e769/2968634/5f18f521db76/e-65-0m308-fig2.jpg

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本文引用的文献

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Flexible square supramolecular rings with hydrogen-bonded bushing in solid-state oxalurate complexes: versatility of the oxalurate ligand in covalent and noncovalent binding.固态草尿酸盐配合物中具有氢键衬套的柔性方形超分子环:草尿酸盐配体在共价和非共价结合中的多功能性
Inorg Chem. 2002 Aug 26;41(17):4599-604. doi: 10.1021/ic025648m.