首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 1H1′H-22′-biimid­azol-3-ium hydrogen tartrate hemi­hydrate
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Crystal structure of 1H1′H-22′-biimid­azol-3-ium hydrogen tartrate hemi­hydrate

机译:1H1H- 22-联亚氨基­唑 -3-酒石酸氢盐半水合物的晶体结构

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摘要

In the crystal of the title hydrated salt, C6H7N4 +·C4H5O6 ·0.5H2O, the bi­imidazole monocation, 1H,1′H-[2,2′-biimidazol]-3-ium, is hydrogen bonded, via N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, to the hydrogen tartrate anion and the water mol­ecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure. There are also C=O⋯π inter­actions present [O⋯π distances are 3.00 (9) and 3.21 (7) Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6 (2)°.
机译:在标题水合盐的晶体中,C6H7N4 + ·C4H5O6 -·0.5H2O中的联咪唑单阳离子1H,1'H- [2,2'-联咪唑] -3-ium通过N-H⋯O,OH-H⋯O和O-H⋯N氢键与酒石酸氢根阴离子和位于双向旋转轴上的水分子氢键形成平行于(001)的纸张。片材通过CHOH氢键连接,形成三维结构。还存在C = O⋯π相互作用[O⋯π距离为3.00(9)和3.21(7)],涉及羰基O原子和咪唑环,这可能有助于巩固结构。在阳离子中,环之间的二面角为11.6°(2)°。

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