Crystal structure and Hirshfeld surface analysis of the salt 2-iodo­ethyl­ammonium iodide – a possible side product upon synthesis of hybrid perovskites

IF 0.5 Q4 CRYSTALLOGRAPHY
Hanna R. Petrosova , Dina D. Naumova , Irina A. Golenya , Ildiko Buta , Il’ya A. Gural’skiy
{"title":"Crystal structure and Hirshfeld surface analysis of the salt 2-iodo­ethyl­ammonium iodide – a possible side product upon synthesis of hybrid perovskites","authors":"Hanna R. Petrosova ,&nbsp;Dina D. Naumova ,&nbsp;Irina A. Golenya ,&nbsp;Ildiko Buta ,&nbsp;Il’ya A. Gural’skiy","doi":"10.1107/S205698902401034X","DOIUrl":null,"url":null,"abstract":"<div><div>The organic 2-iodo­ethyl­ammonium cation forms N—H⋯I hydrogen bonds with iodide anions, forming supra­molecular layers.</div></div><div><div>The title organic–inorganic hybrid salt, C<sub>2</sub>H<sub>7</sub>IN<sup>+</sup>·I<sup>−</sup>, is isotypic with its bromine analog, C<sub>2</sub>H<sub>7</sub>BrN<sup>+</sup>·Br<sup>−</sup> [Semenikhin <em>et al.</em> (2024<span><span>#</span></span>). <em>Acta Cryst.</em> E<strong>80</strong>, 738–741]. Its asymmetric unit consists of one 2-iodo­ethyl­ammonium cation and one iodide anion. The NH<sub>3</sub><sup>+</sup> group of the organic cation forms weak hydrogen bonds with four neighboring iodide anions, leading to the formation of supra­molecular layers propagating parallel to the <em>bc</em> plane. Hirshfeld surface analysis reveals that the most important contribution to the crystal packing is from N—H⋯I inter­actions (63.8%). The crystal under investigation was twinned by a 180° rotation around [001].</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1226-1229"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660464/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024002536","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0

Abstract

The organic 2-iodo­ethyl­ammonium cation forms N—H⋯I hydrogen bonds with iodide anions, forming supra­molecular layers.
The title organic–inorganic hybrid salt, C2H7IN+·I, is isotypic with its bromine analog, C2H7BrN+·Br [Semenikhin et al. (2024#). Acta Cryst. E80, 738–741]. Its asymmetric unit consists of one 2-iodo­ethyl­ammonium cation and one iodide anion. The NH3+ group of the organic cation forms weak hydrogen bonds with four neighboring iodide anions, leading to the formation of supra­molecular layers propagating parallel to the bc plane. Hirshfeld surface analysis reveals that the most important contribution to the crystal packing is from N—H⋯I inter­actions (63.8%). The crystal under investigation was twinned by a 180° rotation around [001].
杂化钙钛矿合成副产物2-碘乙基碘化铵的晶体结构及表面分析。
标题有机无机杂化盐C2H7IN+·I-与其溴类似物C2H7BrN+·Br-是同型的[Semenikhin et al.(2024▸)]。Acta结晶。E80, 738 - 741]。它的不对称单元由一个2-碘乙基铵阳离子和一个碘离子阴离子组成。有机阳离子的NH3 +基团与四个相邻的碘离子阴离子形成弱氢键,导致形成平行于bc面传播的超分子层。Hirshfeld表面分析显示,对晶体堆积最重要的贡献来自N-H⋯I相互作用(63.8%)。所研究的晶体是在[001]周围旋转180°而成双晶的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信