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2-[(E)-2-(4-氯苯基)乙烯基]-1-甲基吡啶鎓 4-氯苯磺酸盐

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate.

作者信息

Fun Hoong-Kun, Chanawanno Kullapa, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1554-5. doi: 10.1107/S1600536809021667.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5019/2969486/88de18ac9452/e-65-o1554-fig1.jpg

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