Akhtar Taslim, Masih Khawar, Tahir M Nawaz, Tariq Muhammad Ilyas, Iqbal Shahid
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 13;66(Pt 4):o819. doi: 10.1107/S1600536810008913.
In the title hydrated mol-ecular salt, 2C(7)H(8)NO(2) (+)·SO(4) (2-)·H(2)O, each cation in the asymmetric unit is stabilized by an intra-molecular N-H⋯O hydrogen bond. The O atoms of the sulfate ion are disordered over two sets of sites with an occupancy ratio of 0.541 (13):0.459 (13), which possibly optimizes the acceptance of N-H⋯O hydrogen bonds from the cations. The crystal structure also features aromatic π-π stacking [centroid-centroid separation = 3.842 (2) Å] and a C-H⋯π inter-action.
在标题水合分子盐2C₇H₈NO₂⁺·SO₄²⁻·H₂O中，不对称单元中的每个阳离子通过分子内N-H⋯O氢键得以稳定。硫酸根离子的O原子在两组位置上无序分布，占有率为0.541 (13):0.459 (13)，这可能优化了从阳离子接受N-H⋯O氢键的情况。晶体结构还具有芳香π-π堆积[质心-质心间距 = 3.842 (2) Å]和C-H⋯π相互作用。
