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4-氰基-1-甲基吡啶碘化物

4-Cyano-1-methyl-pyridinium iodide.

作者信息

Kammer Michael N, Koplitz Lynn V, Mague Joel T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2514. doi: 10.1107/S1600536812032230. Epub 2012 Jul 21.

DOI:10.1107/S1600536812032230
PMID:22904952
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414965/
Abstract

In the crystal structure of the title compound, C(7)H(7)N(2) (+)·I(-), the cations form inversion-related dimers via weak pairwise C-H⋯N hydrogen bonds. In the dimers, the pyridinium rings are parallel to one another with their mean planes separated by a normal distance of ca 0.28 Å. Weak C-H⋯N inter-actions between adjacent dimers generate a layer lying parallel to (10-1). The remaining H atoms form C-H⋯I inter-actions, which link the layers into a three-dimensional structure.

摘要

在标题化合物C₇H₇N₂⁺·I⁻的晶体结构中,阳离子通过弱的成对C-H⋯N氢键形成与反演相关的二聚体。在二聚体中,吡啶鎓环彼此平行,其平均平面之间的垂直距离约为0.28 Å。相邻二聚体之间的弱C-H⋯N相互作用产生一个平行于(10-1)的层。其余的H原子形成C-H⋯I相互作用,将这些层连接成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/714a/3414965/b81a4f11f2f6/e-68-o2514-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/714a/3414965/0e8e7690b4a7/e-68-o2514-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/714a/3414965/b81a4f11f2f6/e-68-o2514-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/714a/3414965/0e8e7690b4a7/e-68-o2514-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/714a/3414965/b81a4f11f2f6/e-68-o2514-fig2.jpg

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