Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromobenzoate: work carried out as part of the CNRS AFRAMED project

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-03-01 DOI:10.1107/S2056989025000246

Valentin Bationo , Konan René Kambo , Brahima Sorgho , Charles Bavouma Sombié , El Walda Thiam , Rasmané Semdé , Abdoulaye Djandé , Claude Lecomte , Emmanuel Wenger

{"title":"Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromobenzoate: work carried out as part of the CNRS AFRAMED project","authors":"Valentin Bationo , Konan René Kambo , Brahima Sorgho , Charles Bavouma Sombié , El Walda Thiam , Rasmané Semdé , Abdoulaye Djandé , Claude Lecomte , Emmanuel Wenger","doi":"10.1107/S2056989025000246","DOIUrl":null,"url":null,"abstract":"<div><div>In the title compound, the dihedral angle between the chromen-2-one ring system and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds and π–π stacking interactions.</div></div><div><div>In the title compound, C<sub>16</sub>H<sub>9</sub>BrO<sub>4</sub>, the dihedral angle between the chromen-2-one ring system (r.m.s. deviation = 0.006 Å) and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds and π–π stacking interactions. According to a Hirshfeld surface analysis, H⋯H (22.4%), O⋯H/H⋯O (23.6%) and C⋯H/H⋯C (21%) interactions are the most significant contributors to the crystal packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 3","pages":"Pages 200-203"},"PeriodicalIF":0.5000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11891593/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/S2056989025000520","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

In the title compound, the dihedral angle between the chromen-2-one ring system and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds and π–π stacking interactions.

In the title compound, C₁₆H₉BrO₄, the dihedral angle between the chromen-2-one ring system (r.m.s. deviation = 0.006 Å) and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds and π–π stacking interactions. According to a Hirshfeld surface analysis, H⋯H (22.4%), O⋯H/H⋯O (23.6%) and C⋯H/H⋯C (21%) interactions are the most significant contributors to the crystal packing.

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.

Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromo­benzoate: work carried out as part of the CNRS AFRAMED project

Abstract

Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromobenzoate: work carried out as part of the CNRS AFRAMED project