V. E. Kireev, A. M. Banaru, V. A. Bataev, D. S. Kononovich, A. Z. Voskoboynikov, S. M. Aksenov
{"title":"Crystal Structure and Topological Features of Two New Indene Derivatives","authors":"V. E. Kireev, A. M. Banaru, V. A. Bataev, D. S. Kononovich, A. Z. Voskoboynikov, S. M. Aksenov","doi":"10.1134/S0022476624100135","DOIUrl":null,"url":null,"abstract":"<p>7-Bromo-5-(<i>tert</i>-butyl)-2-phenyl-1<i>H</i>-indene (<b>1</b>) and 6,7-dibromo-2,4-dimethyl-2,3-dihydro-1<i>H</i>-inden-1-one (<b>2</b>) are analyzed by single crystal X-ray diffraction. The conformational structure, vibrational spectrum of molecules, topology and hierarchical complexity of crystal structures are discussed. The structure of <b>1</b> is layered and contains (100) molecular layers of the <b>tts</b> topological type. The structure of <b>2</b> does not contain long molecular ensembles but demonstrates short Br⋯O contacts linking molecules into a centrosymmetric dimer.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 10","pages":"2029 - 2040"},"PeriodicalIF":1.2000,"publicationDate":"2024-11-11","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/S0022476624100135","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
7-Bromo-5-(tert-butyl)-2-phenyl-1H-indene (1) and 6,7-dibromo-2,4-dimethyl-2,3-dihydro-1H-inden-1-one (2) are analyzed by single crystal X-ray diffraction. The conformational structure, vibrational spectrum of molecules, topology and hierarchical complexity of crystal structures are discussed. The structure of 1 is layered and contains (100) molecular layers of the tts topological type. The structure of 2 does not contain long molecular ensembles but demonstrates short Br⋯O contacts linking molecules into a centrosymmetric dimer.
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.