Chantrapromma Suchada, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):o258-9. doi: 10.1107/S1600536809000026.
In the title compound, 2C(16)H(15)N(2) (+)·C(6)H(4)FO(3)S(-)·NO(3) (-)·0.25H(2)O, the two cations are nearly planar, with dihedral angles of 1.34 (14) and 4.6 (2)°, respectively, between the pyridinium and indole rings. The cations each adopt E configurations with respect to the C=C bonds and are inclined to each other with a dihedral angle of 77.66 (5)°. The ethenyl group of one cation is disordered over two sites with occupancies of 0.685 (12) and 0.315 (12), and the sulfonate group of the 4-fluoro-benzene-sulfonate anion is also disordered with occupancies of 0.535 (10) and 0.465 (10) for the two sets of O atoms. The anion is also inclined to the two cations, with dihedral angles between the mean planes of the benzene ring and the π-conjugated systems of the cations of 24.72 (11) and 79.83 (11)°. In the crystal structure, the cations are stacked in an anti-parallel fashion into columns approximately along the a axis and are further linked through the anions into a three-dimensional network via N-H⋯O and C-H⋯O inter-actions. The water mol-ecule forms O-H⋯O hydrogen bonds to the nitrate anion and C-H⋯π inter-actions are also observed.
在标题化合物2C₁₆H₁₅N₂⁺·C₆H₄FO₃S⁻·NO₃⁻·0.25H₂O中，两个阳离子近乎平面，吡啶鎓环与吲哚环之间的二面角分别为1.34 (14)°和4.6 (2)°。每个阳离子相对于C=C键均采用E构型，且彼此倾斜，二面角为77.66 (5)°。一个阳离子的乙烯基在两个位置上无序分布，占有率分别为0.685 (12)和0.315 (12)，4-氟苯磺酸盐阴离子的磺酸根基团也无序，两组O原子的占有率分别为0.535 (10)和0.465 (10)。阴离子也与两个阳离子倾斜，苯环平均平面与阳离子的π共轭体系之间的二面角为24.72 (11)°和79.83 (11)°。在晶体结构中，阳离子以反平行方式沿a轴堆叠成列，并通过阴离子进一步通过N-H⋯O和C-H⋯O相互作用连接成三维网络。水分子与硝酸根阴离子形成O-H⋯O氢键，还观察到C-H⋯π相互作用。
