Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(di-phenyl-amino)phen-yl]-1-[4-(prop-1-yn-2-yl-oxy)phen-yl]prop-2-en-1-one.
Sundarasamy Madhan, M NizamMohideen, Vijayan Viswanathan, Devadasan Velmurugan
{"title":"Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2<i>E</i>)-3-[4-(di-phenyl-amino)phen-yl]-1-[4-(prop-1-yn-2-yl-oxy)phen-yl]prop-2-en-1-one.","authors":"Sundarasamy Madhan, M NizamMohideen, Vijayan Viswanathan, Devadasan Velmurugan","doi":"10.1107/S2056989024011721","DOIUrl":null,"url":null,"abstract":"<p><p>In the crystal structure of the title chalcone derivative, C<sub>30</sub>H<sub>23</sub>NO<sub>2</sub>, the mol-ecule adopts an s-<i>cis</i> conformation with respect to the C=O and C=C bonds. The tri-phenyl-amine moiety has a propeller-type shape, with dihedral angles between the mean planes of pairs of phenyl rings of 72.1 (6), 69.7 (1) and 65.6 (6)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains extending parallel to [010]. In addition, weak C-H⋯π inter-actions consolidate the crystal packing. One of the phenyl rings of the tri-phenyl-amine moiety is disordered over two sets of sites.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 1","pages":"15-19"},"PeriodicalIF":0.5000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701778/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2056989024011721","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 crystal structure of the title chalcone derivative, C30H23NO2, the mol-ecule adopts an s-cis conformation with respect to the C=O and C=C bonds. The tri-phenyl-amine moiety has a propeller-type shape, with dihedral angles between the mean planes of pairs of phenyl rings of 72.1 (6), 69.7 (1) and 65.6 (6)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains extending parallel to [010]. In addition, weak C-H⋯π inter-actions consolidate the crystal packing. One of the phenyl rings of the tri-phenyl-amine moiety is disordered over two sets of sites.
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.