Fun Hoong-Kun, Mueangkeaw Charoensak, Ruanwas Pumsak, Chantrapromma Suchada
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o867-8. doi: 10.1107/S1600536811008610. Epub 2011 Mar 12.
In the title compound, C(17)H(20)NO(3) (+)·C(7)H(7)O(4)S(-)·H(2)O, the cation exists in an E configuration with respect to the C=C bond and is twisted with a dihedral angle of 17.81 (8)° between the pyridinium and benzene rings. The benzene ring of the anion is almost parallel to the pyridinium ring [dihedral angle = 3.45 (9)°], whereas it is inclined to the benzene ring of the cation [dihedral angle = 17.62 (8)°]. The crystal structure is stabilized by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions which link the cations, anions and water mol-ecules into chains along the a axis. π-π inter-actions with centroid-centroid distances of 3.7751 (9) and 3.7920 (11) Å are also observed.
在标题化合物C₁₇H₂₀NO₃⁺·C₇H₇O₄S⁻·H₂O中，阳离子相对于C=C键呈E构型，吡啶鎓环与苯环之间的二面角为17.81 (8)°，呈扭曲状。阴离子的苯环几乎与吡啶鎓环平行[二面角 = 3.45 (9)°]，而与阳离子的苯环呈倾斜状[二面角 = 17.62 (8)°]。晶体结构通过O—H⋯O氢键和弱C—H⋯O相互作用得以稳定，这些相互作用将阳离子、阴离子和水分子沿a轴连接成链。还观察到质心间距分别为3.7751 (9) 和3.7920 (11) Å的π-π相互作用。
