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 Jul 5;70(Pt 8):o852. doi: 10.1107/S1600536814015190. eCollection 2014 Aug 1.
In the title hydrated mol-ecular salt, C3H8N(+)·C2HO4 (-)·0.5H2O, the water O atom lies on a crystallographic twofold axis. The C=C-C-N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO2 and CO2H planes in the anion is 1.0 (4)°. In the crystal, the hydrogen oxalate ions are linked by O-H⋯O hydrogen bonds, generating [010] chains. The allyl-ammonium cations bond to the chains through N-H⋯O and N-H⋯(O,O) hydrogen bonds. The water mol-ecule accepts two N-H⋯O hydrogen bonds and makes two O-H⋯O hydrogen bonds. Together, the hydrogen bonds generate (100) sheets.
在标题水合分子盐C₃H₈N⁺·C₂HO₄⁻·0.5H₂O中，水分子的O原子位于一个晶体学二重轴上。阳离子中的C=C-C-N扭转角为2.8 (3)°，阴离子中CO₂和CO₂H平面之间的二面角为1.0 (4)°。在晶体中，草酸氢根离子通过O-H⋯O氢键相连，形成[010]链。烯丙基铵阳离子通过N-H⋯O和N-H⋯(O,O)氢键与链相连。水分子接受两个N-H⋯O氢键并形成两个O-H⋯O氢键。这些氢键共同形成了(100)层。
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