Khaleel Ahmed, H. C. Devarajegowda, B. Bommalingaiah, G. N. Venkatareddy, H. T. Srinivasa, B. S. Palakshamurthy
{"title":"Synthesis and structure of 4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]phenyl 4-(tetradecyloxy)benzoate","authors":"Khaleel Ahmed, H. C. Devarajegowda, B. Bommalingaiah, G. N. Venkatareddy, H. T. Srinivasa, B. S. Palakshamurthy","doi":"10.1107/S2056989026006213","DOIUrl":null,"url":null,"abstract":"<div><div>In the title molecule, C<sub>34</sub>H<sub>37</sub>F<sub>5</sub>O<sub>5</sub>, the dihedral angles between the central carbonylphenyl and adjacent perfluorophenoxy and (tetradecyloxy)benzoate rings are 74.19 (2) and 67.86 (2)°, respectively and the tetradecyl chain adopts an extended conformation. In the crystal, the molecules are linked by C—H⋯O and C—H⋯F hydrogen bonds, forming <em>C</em>(7) and <em>C</em>(10) chains, respectively, both running infinitely along [010]. The Hirshfeld surface analysis reveals that the major contributions to the two dimensional fingerprint plots are from H⋯H (49.4%), F⋯H/H⋯F (16.7%) and O⋯H/H⋯O (9.0%) contacts. An intermolecular interaction energy calculation shows that dispersion energy contributes the most to the consolidation of the structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 858-861"},"PeriodicalIF":0.5000,"publicationDate":"2026-07-01","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/S2056989026001714","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/7/13 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
In the title molecule, C34H37F5O5, the dihedral angles between the central carbonylphenyl and adjacent perfluorophenoxy and (tetradecyloxy)benzoate rings are 74.19 (2) and 67.86 (2)°, respectively and the tetradecyl chain adopts an extended conformation. In the crystal, the molecules are linked by C—H⋯O and C—H⋯F hydrogen bonds, forming C(7) and C(10) chains, respectively, both running infinitely along [010]. The Hirshfeld surface analysis reveals that the major contributions to the two dimensional fingerprint plots are from H⋯H (49.4%), F⋯H/H⋯F (16.7%) and O⋯H/H⋯O (9.0%) contacts. An intermolecular interaction energy calculation shows that dispersion energy contributes the most to the consolidation of the structure.
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.