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2-[(E)-2-(1H-吲哚-3-基)乙烯基]-1-甲基吡啶 4-氯苯磺酸盐

2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate.

作者信息

Kobkeatthawin Thawanrat, Chantrapromma Suchada, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 31;65(Pt 8):o2045-6. doi: 10.1107/S1600536809029547.

Abstract

In the title compound, C(16)H(15)N(2) (+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the central C=C bond and is approximately planar, with a dihedral angle of 2.95 (5)° between the pyridinium and indole rings. The mean plane of the π-conjugated system of the cation and the benzene ring of the anion are inclined to each other at a dihedral angle of 69.65 (4)°. In the crystal packing, the cations are stacked in an anti-parallel manner along the a axis, resulting in a π-π inter-action with a centroid-centroid distance of 3.5889 (7) Å. The anions are linked into a chain along the a axis by weak C-H⋯O inter-actions. The cations are linked with the anions into a three-dimensional network by N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. There are also short O⋯Cl [3.1272 (10) Å] and C⋯O [3.1432 (14)-3.3753 (14) Å] contacts. The crystal structure is further stabilized by C-H⋯π inter-actions.

摘要

在标题化合物C(16)H(15)N(2) (+)·C(6)H(4)ClO(3)S(-)中,阳离子相对于中心C=C键呈E构型,且近似平面,吡啶鎓环与吲哚环之间的二面角为2.95 (5)°。阳离子的π共轭体系平均平面与阴离子的苯环平均平面以69.65 (4)°的二面角相互倾斜。在晶体堆积中,阳离子沿a轴以反平行方式堆积,导致质心-质心距离为3.5889 (7) Å的π-π相互作用。阴离子通过弱C-H⋯O相互作用沿a轴连接成链。阳离子通过N-H⋯O氢键和弱C-H⋯O相互作用与阴离子连接成三维网络。还存在短的O⋯Cl [3.1272 (10) Å]和C⋯O [3.1432 (14)-3.3753 (14) Å]接触。晶体结构通过C-H⋯π相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9390/2977504/0d37367dec80/e-65-o2045-fig1.jpg

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