Crystal Structure and Hierarchical Complexity of Two Indene Derivatives

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.

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Publication Details

Journal
Journal of Structural Chemistry
Published
2025-05-01
DOI
https://doi.org/10.1134/s0022476625050129
Primary Topic
Crystallography and molecular interactions
Type
article
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article

Crystal Structure and Hierarchical Complexity of Two Indene Derivatives

A. M. Banaru, В.А. Батаев, Sergey M. Aksenov, V. E. Kireev et al.
Journal of Structural Chemistry
Crystallography and molecular interactions
article

Crystal Structure and Hierarchical Complexity of Two Indene Derivatives

A. M. Banaru, В.А. Батаев, Sergey M. Aksenov, V. E. Kireev, A. Z. Voskoboinikov, Dmitry S. Kononovich
article en

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.

Journal of Structural ChemistryVol. 66(5)
Lomonosov Moscow State University (RU), Kola Science Centre (RU)
Openalex Percentile: Top 87%
Crystallography and molecular interactions
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