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4-氰基吡啶硫酸氢盐

4-Cyano-pyridinium hydrogen sulfate.

作者信息

Wang Ying-Chun

机构信息

College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2176. doi: 10.1107/S1600536812027304. Epub 2012 Jun 23.

DOI:10.1107/S1600536812027304
PMID:22798845
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393980/
Abstract

All non-H atoms of the cation of the title salt, C(6)H(5)N(2) (+)·HSO(4) (-), are essentially coplanar [r.m.s. deviation = 0.005 (1) Å] . In the crystal, N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯N inter-actions link the mol-ecules into a two-dimensional network parallel to the (001) plane. Weak π-π stacking inter-actions between the pyridine rings of neighbouring mol-ecules further stabilize the structure [centroid-centroid distance = 3.785 (1) Å].

摘要

标题盐C(6)H(5)N(2) (+)·HSO(4) (-)阳离子的所有非H原子基本共面[r.m.s.偏差 = 0.005 (1) Å] 。在晶体中,N-H⋯O和O-H⋯O氢键以及弱的C-H⋯O和C-H⋯N相互作用将分子连接成平行于(001)平面的二维网络。相邻分子吡啶环之间的弱π-π堆积相互作用进一步稳定了结构[质心-质心距离 = 3.785 (1) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6eb5/3393980/59e3075802fe/e-68-o2176-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6eb5/3393980/0452c4152583/e-68-o2176-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6eb5/3393980/59e3075802fe/e-68-o2176-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6eb5/3393980/0452c4152583/e-68-o2176-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6eb5/3393980/59e3075802fe/e-68-o2176-fig2.jpg

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