Suppr超能文献

唑来膦酸盐配合物。I. 聚[[μ2-水合[μ3-1-羟基-2-(1H,3H-咪唑-3-鎓-1-基)亚乙基二膦酸根合]钾(I)] 一水合物]

Zoledronate complexes. I. Poly[[mu2-aqua[mu3-1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonato]potassium(I)] monohydrate].

作者信息

Freire Eleonora, Vega Daniel R, Baggio Ricardo

机构信息

Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina.

出版信息

Acta Crystallogr C. 2010 Jan;66(Pt 1):m13-6. doi: 10.1107/S0108270109054006. Epub 2009 Dec 24.

Abstract

The title compound, {[K(C(5)H(9)N(2)O(7)P(2))(H(2)O)].H(2)O}(n), is polymeric and consists of layers parallel to (001) interconnected by hydrogen-bonding and pi-pi interactions. The K(+) cation is eightfold coordinated in a KO(8) environment by O atoms from three different chelating zoledronate units and two coordinated water molecules. The zoledronate group presents its usual zwitterionic character, with negative charges in the singly protonated phosphonate groups and a positive charge at the protonated imidazole N atom. The anion binds to three different K(+) cations in a (so far unreported) triply chelating manner. Intra- and interplanar interactions are enhanced by a variety of hydrogen bonds involving all available O-H and N-H donors. A strong imidazole-phosphonate C-H...O interaction is present in the structure.

摘要

标题化合物{[K(C₅H₉N₂O₇P₂)(H₂O)].H₂O}ₙ是聚合物,由通过氢键和π-π相互作用连接的平行于(001)的层组成。K⁺阳离子在KO₈环境中由来自三个不同螯合唑来膦酸酯单元的O原子和两个配位水分子进行八重配位。唑来膦酸基团呈现其常见的两性离子特征,在单质子化的膦酸酯基团中带负电荷,在质子化的咪唑N原子处带正电荷。阴离子以(迄今未报道的)三重螯合方式与三个不同的K⁺阳离子结合。平面内和平面间的相互作用通过涉及所有可用O-H和N-H供体的多种氢键得到增强。结构中存在强的咪唑-膦酸酯C-H...O相互作用。

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验