N Suresh Babu, S Anbu Chudar Azhagan, B Loganathan, V Sughanya, J Ayyappan
{"title":"2,2'-[(4-But-oxy-phen-yl)methyl-ene]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one).","authors":"N Suresh Babu, S Anbu Chudar Azhagan, B Loganathan, V Sughanya, J Ayyappan","doi":"10.1107/S2414314625001804","DOIUrl":null,"url":null,"abstract":"<p><p>In the title compound, C<sub>27</sub>H<sub>36</sub>O<sub>5</sub>, the dihedral angles between the planes of the benzene ring and the cyclo-hexenone rings are 60.87 (10) and 65.04 (10)°, while the dihedral angle between the mean planes of the two cyclo-hexenone rings is 39.33 (10)°. Each cyclo-hexenone ring has a carbon atom bonded to two methyl groups, which acts as the flap atom, resulting in an envelope conformation. The opposite orientation of the hy-droxy and carbonyl oxygen atoms allows for the formation of two intra-molecular O-H⋯O hydrogen bonds and C-H⋯π (ring) inter-actions also help to establish the molecular conformation.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 2","pages":"x250180"},"PeriodicalIF":0.0000,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11904627/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2414314625001804","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
In the title compound, C27H36O5, the dihedral angles between the planes of the benzene ring and the cyclo-hexenone rings are 60.87 (10) and 65.04 (10)°, while the dihedral angle between the mean planes of the two cyclo-hexenone rings is 39.33 (10)°. Each cyclo-hexenone ring has a carbon atom bonded to two methyl groups, which acts as the flap atom, resulting in an envelope conformation. The opposite orientation of the hy-droxy and carbonyl oxygen atoms allows for the formation of two intra-molecular O-H⋯O hydrogen bonds and C-H⋯π (ring) inter-actions also help to establish the molecular conformation.
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