Crystal structure and Hirshfeld surface analysis of the salt 2-iodoethylammonium iodide – a possible side product upon synthesis of hybrid perovskites
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 , Dina D. Naumova , Irina A. Golenya , Ildiko Buta , 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].
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.