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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>

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Crystal Structure and Hierarchical Complexity of Two Indene Derivatives

  • 期刊论文

  • 发表日期：

    2025年5月1日

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  • A. M. Banaru,
  • V. E. Kireev,
  • V. A. Bataev,
  • D. S. Kononovich,
  • A. Z. Voskoboinikov,
  • S. M. Aksenov

摘要

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.