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2-[(E)-2-(4-氯苯基)乙烯基]-1-甲基碘化吡啶一水合物

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methylpyridinium iodide monohydrate.

作者信息

Chanawanno Kullapa, Chantrapromma Suchada, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 6;64(Pt 10):o1882-3. doi: 10.1107/S1600536808027724.

Abstract

In the title compound, C(14)H(13)ClN(+)·I(-)·H(2)O, the cation is nearly planar and exists in an E configuration; the dihedral angle between the pyridinium and benzene rings is 0.98 (17)°. The cations stack in an anti-parallel manner along the a axis through two π-π inter-actions between the pyridinium and benzene rings [centroid-centroid distances 3.569 (2) and 3.6818 (13) Å, respectively]. The cation, anion and water mol-ecule are linked into a chain along the a axis by weak C-H⋯O and C-H⋯I inter-actions together with O-H⋯I hydrogen bonds and the chains are further connected into a three-dimensional network.

摘要

在标题化合物C₁₄H₁₃ClN⁺·I⁻·H₂O中,阳离子近乎平面,呈E构型;吡啶鎓环与苯环之间的二面角为0.98 (17)°。阳离子沿a轴以反平行方式堆积,通过吡啶鎓环与苯环之间的两个π-π相互作用[质心-质心距离分别为3.569 (2) 和3.6818 (13) Å]。阳离子、阴离子和水分子通过弱C-H⋯O和C-H⋯I相互作用以及O-H⋯I氢键沿a轴连接成链,这些链进一步连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3973/2959251/f3a7113f8705/e-64-o1882-fig1.jpg

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