Crystal Structure and Topological Features of Two New Indene Derivatives

7-Bromo-5-( tert -butyl)-2-phenyl-1 H -indene ( 1 ) and 6,7-dibromo-2,4-dimethyl-2,3-dihydro-1 H -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 discus...

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Veröffentlicht in:Journal of structural chemistry 2024-10, Vol.65 (10), p.2029-2040
Hauptverfasser: Kireev, V. E., Banaru, A. M., Bataev, V. A., Kononovich, D. S., Voskoboynikov, A. Z., Aksenov, S. M.
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Sprache:eng
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Zusammenfassung:7-Bromo-5-( tert -butyl)-2-phenyl-1 H -indene ( 1 ) and 6,7-dibromo-2,4-dimethyl-2,3-dihydro-1 H -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.
ISSN:0022-4766
1573-8779
DOI:10.1134/S0022476624100135