A. M. Banaru, V. E. Kireev, V. A. Bataev, D. S. Kononovich, A. Z. Voskoboinikov, S. M. Aksenov
{"title":"Crystal Structure and Hierarchical Complexity of Two Indene Derivatives","authors":"A. M. Banaru, V. E. Kireev, V. A. Bataev, D. S. Kononovich, A. Z. Voskoboinikov, S. M. Aksenov","doi":"10.1134/S0022476625050129","DOIUrl":null,"url":null,"abstract":"<p>6-<i>Tert</i>-butyl-5-methoxy-2-methyl-4-phenyl-2,3-dihydro-1<i>H</i>-inden-1-one (<b>1</b>) and 5-<i>tert</i>-butyl-6-methoxy-2-methyl-7-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-indene (<b>2</b>) are analyzed by single crystal X-ray diffraction. The conformational structure and low-frequency region of the vibrational spectrum of molecules, the topology and hierarchical complexity of crystal structures are discussed. Both structures do not have pronounced specific intermolecular interactions. At the same time, very weak H-bonds significantly affecting the topology of intermolecular contacts and enhancing the hierarchical complexity of the structure of <b>1</b> as compared to <b>2 </b>can be distinguished in the structure of <b>1</b> whose molecule represents substituted indanone.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 5","pages":"982 - 997"},"PeriodicalIF":1.4000,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0022476625050129","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
6-Tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3-dihydro-1H-inden-1-one (1) and 5-tert-butyl-6-methoxy-2-methyl-7-(4-tert-butylphenyl)-1H-indene (2) are analyzed by single crystal X-ray diffraction. The conformational structure and low-frequency region of the vibrational spectrum of molecules, the topology and hierarchical complexity of crystal structures are discussed. Both structures do not have pronounced specific intermolecular interactions. At the same time, very weak H-bonds significantly affecting the topology of intermolecular contacts and enhancing the hierarchical complexity of the structure of 1 as compared to 2 can be distinguished in the structure of 1 whose molecule represents substituted indanone.
期刊介绍:
Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.