Intra- and intermolecular C—H⋯F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-11-01 DOI:10.1107/S2056989024010995

Eric Bosch , Nathan P. Bowling

{"title":"Intra- and intermolecular C—H⋯F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene","authors":"Eric Bosch , Nathan P. Bowling","doi":"10.1107/S2056989024010995","DOIUrl":null,"url":null,"abstract":"<div><div>The structure of the aryl ethynylene molecule, 1,2-<em>bis</em>-(2,3,4,5-tetrafluorophenylethynyl) benzene includes two unique molecules in the unit cell. Both feature intramolecular <em>sp</em><sup>2</sup>-C—H⋯F hydrogen bonds in addition to intermolecular C—H⋯F hydrogen bonds.</div></div><div><div>The title molecule, C<sub>22</sub>H<sub>6</sub>F<sub>8</sub>, crystallizes in the monoclinic space group <em>P</em>2<sub>1</sub>/<em>c</em> with two unique molecules in the asymmetric unit and <em>Z</em> = 8. Each molecule features a short intramolecular <em>sp</em><sup>2</sup>-C—H⋯F hydrogen bond with H⋯F separations at 2.363 (14) and 2.270 (14) Å, corresponding to 91 and 87.5% of the sum of the van der Waals radii, and C—H⋯F angles of 158.3 (14) and 166.8 (14)°, respectively. Each molecule also forms an intermolecular bifurcated CH⋯(F)<sub>2</sub> interaction with H⋯F distances ranging from 2.500 (16) to 2.597 (17) Å.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 12","pages":"Pages 1298-1301"},"PeriodicalIF":0.5000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","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/S2056989024002135","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 structure of the aryl ethynylene molecule, 1,2-bis-(2,3,4,5-tetrafluorophenylethynyl) benzene includes two unique molecules in the unit cell. Both feature intramolecular sp²-C—H⋯F hydrogen bonds in addition to intermolecular C—H⋯F hydrogen bonds.

The title molecule, C₂₂H₆F₈, crystallizes in the monoclinic space group P2₁/c with two unique molecules in the asymmetric unit and Z = 8. Each molecule features a short intramolecular sp²-C—H⋯F hydrogen bond with H⋯F separations at 2.363 (14) and 2.270 (14) Å, corresponding to 91 and 87.5% of the sum of the van der Waals radii, and C—H⋯F angles of 158.3 (14) and 166.8 (14)°, respectively. Each molecule also forms an intermolecular bifurcated CH⋯(F)₂ interaction with H⋯F distances ranging from 2.500 (16) to 2.597 (17) Å.

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

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.

Intra- and inter­molecular C—H⋯F hydrogen bonds in the crystal structure of 1,2-bis­[2-(2,3,4,5-tetra­fluoro­phen­yl)ethyn­yl]benzene

Abstract

Intra- and intermolecular C—H⋯F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene