Chantrapromma Suchada, Chanawanno Kullapa, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1884-5. doi: 10.1107/S1600536809026968.
In the title compound, C(14)H(13)ClN(+)·C(6)H(4)BrO(3)S(-), the cation exists in an E configuration with respect to the ethenyl bond and is almost planar, the dihedral angle between the pyridinium and the benzene rings being 2.80 (7)°. The dihedral angles between the benzene ring of the anion and the pyridinium and benzene rings of the cation are 80.88 (7) and 79.05 (7)°, respectively. In the crystal, the cations are stacked into columns along the a axis as a result of π-π inter-actions between the pyridinium and chloro-benzene rings with a Cg⋯Cg distance of 3.6976 (8) Å. The anions are linked into chains along the a axis by weak C-H⋯O inter-actions. These anion chains are linked to adjacent cations by additional weak C-H⋯O and C-H⋯Br inter-actions, forming a two-dimensional network parallel to the ab plane. There are also short O⋯Br [3.2567 (11) Å] and C⋯O [2.9917 (18) Å] contacts. The crystal structure is further stabilized by C-H⋯π inter-actions involving the aromatic ring of the anion.
在标题化合物C(14)H(13)ClN⁺·C(6)H(4)BrO₃S⁻中，阳离子相对于乙烯基键呈E构型且几乎为平面结构，吡啶鎓环与苯环之间的二面角为2.80 (7)°。阴离子的苯环与阳离子的吡啶鎓环和苯环之间的二面角分别为80.88 (7)°和79.05 (7)°。在晶体中，由于吡啶鎓环与氯苯环之间的π-π相互作用，阳离子沿a轴堆积成列，Cg⋯Cg距离为3.6976 (8) Å。阴离子通过弱C-H⋯O相互作用沿a轴连接成链。这些阴离子链通过额外的弱C-H⋯O和C-H⋯Br相互作用与相邻阳离子相连，形成平行于ab平面的二维网络。还存在短的O⋯Br [3.2567 (11) Å]和C⋯O [2.9917 (18) Å]接触。晶体结构通过涉及阴离子芳环的C-H⋯π相互作用进一步稳定。
