Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one
{"title":"Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","authors":"Sundarasamy Madhan , M. NizamMohideen , Vijayan Viswanathan , Devadasan Velmurugan","doi":"10.1107/S2056989024011721","DOIUrl":null,"url":null,"abstract":"<div><div>The molecule adopts an s-<em>cis</em> conformation with respect to the C=O and C—C bonds of the chalcone bridge.</div></div><div><div>In the crystal structure of the title chalcone derivative, C<sub>30</sub>H<sub>23</sub>NO<sub>2</sub>, the molecule adopts an s-<em>cis</em> conformation with respect to the C=O and C=C bonds. The triphenylamine 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, molecules are linked by C—H⋯O hydrogen bonds, forming chains extending parallel to [010]. In addition, weak C—H⋯π interactions consolidate the crystal packing. One of the phenyl rings of the triphenylamine moiety is disordered over two sets of sites.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"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://www.sciencedirect.com/org/science/article/pii/S2056989025000027","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 molecule adopts an s-cis conformation with respect to the C=O and C—C bonds of the chalcone bridge.
In the crystal structure of the title chalcone derivative, C30H23NO2, the molecule adopts an s-cis conformation with respect to the C=O and C=C bonds. The triphenylamine 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, molecules are linked by C—H⋯O hydrogen bonds, forming chains extending parallel to [010]. In addition, weak C—H⋯π interactions consolidate the crystal packing. One of the phenyl rings of the triphenylamine 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.