Fun Hoong-Kun, Chanawanno Kullapa, Chantrapromma Suchada
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1554-5. doi: 10.1107/S1600536809021667.
In the title salt, C(14)H(13)ClN(+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the ethynyl bond and is approximately planar, with a dihedral angle of 3.4 (2)° between the pyridinium and benzene rings. The anion is approximately perpendicular to the cation plane, the benzene ring of the anion making dihedral angles of 89.4 (2) and 89.9 (2)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal structure, the cations are linked into a chain along the c axis by C-H⋯Cl inter-actions. The anions are linked to the adjacent cation chains by C-H⋯O and C-H⋯Cl inter-actions, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by C-H⋯π inter-actions. A π-π inter-action is also observed between the pyridinium ring and the benzene ring of the cation with a centroid-centroid distance of 3.668 (3) Å.
在标题盐C(14)H(13)ClN⁺·C(6)H(4)ClO(3)S⁻中，阳离子相对于乙炔键呈E构型，且近似平面状，吡啶鎓环与苯环之间的二面角为3.4 (2)°。阴离子近似垂直于阳离子平面，阴离子的苯环与阳离子的吡啶鎓环和苯环的二面角分别为89.4 (2)°和89.9 (2)°。在晶体结构中，阳离子通过C—H⋯Cl相互作用沿c轴连接成链。阴离子通过C—H⋯O和C—H⋯Cl相互作用与相邻的阳离子链相连，形成平行于bc平面的二维网络。晶体结构通过C—H⋯π相互作用进一步稳定。在阳离子的吡啶鎓环与苯环之间还观察到π - π相互作用，质心间距为3.668 (3) Å。
