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2-[(E)-4-(二乙氨基)-苯乙烯基]-1-甲基吡啶碘化物

2-[(E)-4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium iodide.

作者信息

Kaewmanee Narissara, Chanawanno Kullapa, Chantrapromma Suchada, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 25;66(Pt 10):o2639-40. doi: 10.1107/S1600536810037505.

DOI:10.1107/S1600536810037505
PMID:21587611
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983428/
Abstract

In the title compound, C(18)H(23)N(2) (+)·I(-), the cation exists in the E configuration with respect to the ethenyl C=C bond. The pyridinium and benzene rings are nearly coplanar, making a dihedral angle of 4.63 (7)°. The two ethyl groups of the diethyl-amino substituent point in opposite directions with respect to the benzene plane. In the crystal, the cation and the iodide anion are linked by a weak C-H⋯I inter-action. The cations are stacked in an anti-parallel manner along the a axis by a π-π inter-action with a centroid-centroid distance of 3.5262 (9) Å. The crystal structure is further stabilized by C-H⋯π inter-actions.

摘要

在标题化合物C(18)H(23)N(2) (+)·I(-)中,阳离子相对于乙烯基C=C键以E构型存在。吡啶鎓环和苯环几乎共面,二面角为4.63 (7)°。二乙氨基取代基的两个乙基相对于苯平面指向相反方向。在晶体中,阳离子和碘离子通过弱的C-H⋯I相互作用相连。阳离子通过π-π相互作用沿a轴以反平行方式堆积,质心-质心距离为3.5262 (9) Å。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/3225/2983428/1bfffeb53084/e-66-o2639-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3225/2983428/5cfd327c4c8a/e-66-o2639-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3225/2983428/1bfffeb53084/e-66-o2639-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3225/2983428/5cfd327c4c8a/e-66-o2639-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3225/2983428/1bfffeb53084/e-66-o2639-fig2.jpg

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