Robin Risken , Tobias Schrimpf , Franziska Dorothea Klotz , Carsten Strohmann , L. Van Meervelt (Editor)
{"title":"2-(allyl-thio)-pyridine 和 1,2,4,5-tetra-fluoro-3,6-di-iodo-benzene 之间卤素键的晶体结构和 Hirshfeld 表面分析。","authors":"Robin Risken , Tobias Schrimpf , Franziska Dorothea Klotz , Carsten Strohmann , L. Van Meervelt (Editor)","doi":"10.1107/S2056989024005693","DOIUrl":null,"url":null,"abstract":"<div><p>The crystal structure of the molecular complex between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene, which exhibits an N⋯I halogen bond, has been determined at 100 K.</p></div><div><p>The crystal structure of the title 2:1 molecular complex between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene, C<sub>6</sub>F<sub>4</sub>I<sub>2</sub>·2C<sub>8</sub>H<sub>9</sub>NS, at 100 K has been determined in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em>. The most noteworthy characteristic of the complex is the halogen bond between iodine and the pyridine ring with a short N⋯I contact [2.8628 (12) Å]. The Hirshfeld surface analysis shows that the hydrogen⋯hydrogen contacts dominate the crystal packing with a contribution of 32.1%.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 7","pages":"Pages 759-762"},"PeriodicalIF":0.5000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223707/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene\",\"authors\":\"Robin Risken , Tobias Schrimpf , Franziska Dorothea Klotz , Carsten Strohmann , L. Van Meervelt (Editor)\",\"doi\":\"10.1107/S2056989024005693\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The crystal structure of the molecular complex between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene, which exhibits an N⋯I halogen bond, has been determined at 100 K.</p></div><div><p>The crystal structure of the title 2:1 molecular complex between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene, C<sub>6</sub>F<sub>4</sub>I<sub>2</sub>·2C<sub>8</sub>H<sub>9</sub>NS, at 100 K has been determined in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em>. The most noteworthy characteristic of the complex is the halogen bond between iodine and the pyridine ring with a short N⋯I contact [2.8628 (12) Å]. The Hirshfeld surface analysis shows that the hydrogen⋯hydrogen contacts dominate the crystal packing with a contribution of 32.1%.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 7\",\"pages\":\"Pages 759-762\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223707/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/S2056989024001385\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001385","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene
The crystal structure of the molecular complex between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene, which exhibits an N⋯I halogen bond, has been determined at 100 K.
The crystal structure of the title 2:1 molecular complex between 2-(allylthio)pyridine and 1,2,4,5-tetrafluoro-3,6-diiodobenzene, C6F4I2·2C8H9NS, at 100 K has been determined in the monoclinic space group P21/c. The most noteworthy characteristic of the complex is the halogen bond between iodine and the pyridine ring with a short N⋯I contact [2.8628 (12) Å]. The Hirshfeld surface analysis shows that the hydrogen⋯hydrogen contacts dominate the crystal packing with a contribution of 32.1%.
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.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
