Dziuk Błażej, Zarychta Bartosz, Ejsmont Krzysztof
Faculty of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 24;70(Pt 11):o1175. doi: 10.1107/S1600536814022697. eCollection 2014 Nov 1.
In the title hydrated mol-ecular salt, C4H12N(+)·C2HO4 (-)·0.5H2O, the O atom of the water mol-ecule lies on a crystallographic twofold axis. The dihedral angle between the CO2 and CO2H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O-H⋯O hydrogen bonds. The water mol-ecules are located between the chains of anions and iso-butyl-amine cations; their O atoms participate as donors and acceptors, respectively, in O-H⋯O and N-H⋯O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010].
在标题水合分子盐C₄H₁₂N⁺·C₂HO₄⁻·0.5H₂O中，水分子的O原子位于一个晶体学二重轴上。阴离子的CO₂和CO₂H平面之间的二面角为18.47 (8)°。在晶体中，阴离子通过强的近线性O—H⋯O氢键相互连接。水分子位于阴离子链和异丁胺阳离子链之间；它们的O原子分别作为供体和受体参与O—H⋯O和N—H⋯O氢键，形成平行于[010]排列的通道（尺寸 = 4.615和3.387 Å）。
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