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2,3-二甲基-1-咪唑-3-氯化物

2,3-Dimethyl-1-imidazol-3-ium chloride.

作者信息

Anderson Grace, Mirjafari Arsalan, Zeller Matthias, Hillesheim Patrick C

机构信息

Department of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, FL, 33965, USA.

Purdue University, Department of Chemistry, 560 Oval Drive, West Lafayette, Indiana, 47907, USA.

出版信息

IUCrdata. 2020 May 19;5(Pt 5):x200660. doi: 10.1107/S2414314620006604. eCollection 2020 May.

DOI:10.1107/S2414314620006604
PMID:36337152
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462223/
Abstract

The title salt, CHN ·Cl, exhibits multiple hydrogen-bonding inter-actions between the cationic imidazole moiety and the chloride anion. The protonated aromatic nitro-gen moiety displays the shortest hydrogen-bonding inter-actions while weaker hydrogen bonding is observed between the aromatic H atoms and the chloride anion. The crystal studied was refined as a two-component inversion twin with a twin ratio of 0.71 (5) to 0.29 (5).

摘要

标题盐CHN·Cl在阳离子咪唑部分与氯离子阴离子之间表现出多种氢键相互作用。质子化的芳香氮部分显示出最短的氢键相互作用，而在芳香氢原子与氯离子阴离子之间观察到较弱的氢键。所研究的晶体被精修为一种双组分倒易孪晶，孪晶比为0.71 (5) 至0.29 (5)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edc/9462223/a6b3545e0c66/x-05-x200660-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edc/9462223/04d5b86dde74/x-05-x200660-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edc/9462223/a6b3545e0c66/x-05-x200660-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edc/9462223/04d5b86dde74/x-05-x200660-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edc/9462223/a6b3545e0c66/x-05-x200660-fig2.jpg

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