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双(4-氨基吡啶鎓)(1+)叠氮化物(1-)中的长对称N⋯H⋯N氢键:基于原始数据的重新测定

A long symmetric N⋯H⋯N hydrogen bond in bis-(4-amino-pyridinium)(1+) azide(1-): redetermination from the original data.

作者信息

Fábry Jan

机构信息

Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech Republic.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Aug 15;73(Pt 9):1344-1347. doi: 10.1107/S2056989017011537. eCollection 2017 Sep 1.

Abstract

The structure of the title mol-ecular salt, CHN·N, has been redetermined from the data published by Qian & Huang [ (2010), E, o3086; refcode WACMIY (Groom , 2016)]. The improvement of the present redetermination consists in a correction of the site-occupancy parameter of the bridging H atom between the pyridine rings, as well as of its position. The present study has shown that the bridging H atom (site symmetry 2) is involved in a symmetric N⋯H⋯N hydrogen bond, which is one of the longest ever observed [N⋯N = 2.678 (3) Å]. In addition, there are also present weaker N-H⋯N hydrogen bonds (am = amine and az = azide) of moderate strength and π-electron pyridine⋯π-electron inter-actions in the structure. All the azide N atoms also lie on a twofold axis.

摘要

已根据钱和黄发表的数据[(2010),E,o3086;参考代码WACMIY(格鲁姆,2016)]重新测定了标题分子盐CHN·N的结构。本次重新测定的改进之处在于校正了吡啶环之间桥连H原子的位点占有率参数及其位置。本研究表明,桥连H原子(位点对称性2)参与了一个对称的N⋯H⋯N氢键,这是有史以来观察到的最长的此类氢键之一[N⋯N = 2.678 (3) Å]。此外,结构中还存在较弱的中等强度的N-H⋯N氢键(am = 胺,az = 叠氮化物)和π电子吡啶⋯π电子相互作用。所有叠氮化物N原子也位于一个二重轴上。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b89/5588577/306e7097095b/e-73-01344-fig1.jpg

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