Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 5-Bromo-1-decyl-2,3-dihydro-1H- indolin-2-one

Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 5-Bromo-1-decyl-2,3-dihydro-1H- indolin-2-one

In the title compound, C 18 H 26 BrNO, the dihydroindolone unit is slightly twisted. The n -decyl chains are fully extended and intercalate to form hydrophobic regions. The polar head groups are associated through C–H···O hydrogen bonds and C–Br···π(ring) interactions. Graphic Abstract In this study...

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Veröffentlicht in:Journal of chemical crystallography 2020-12, Vol.50 (4), p.330-337
Hauptverfasser: Rayni, Ibtissam, El Bakri, Youness, Lai, Chin-Hung, Ali, Abdelkader Ben, Essassi, El Mokhtar, Mague, Joel T.
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Chemistry and Materials Science
Crystal structure
Crystallography and Scattering Methods
Hydrazines
Hydrazones
Hydrogen bonds
Inorganic Chemistry
Organometallic Chemistry
Original Paper
Physical Chemistry
Surface analysis (chemical)
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Zusammenfassung:In the title compound, C 18 H 26 BrNO, the dihydroindolone unit is slightly twisted. The n -decyl chains are fully extended and intercalate to form hydrophobic regions. The polar head groups are associated through C–H···O hydrogen bonds and C–Br···π(ring) interactions. Graphic Abstract In this study, we efficiently synthesized 5-bromo-1-decylindolin-2-one without isolation of the intermediate hydrazone by the Wolff–Kishner reduction of 2-(5-bromo-1-decyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)propanedinitrile with hydrazine hydrate.
ISSN:1074-1542
1572-8854
DOI:10.1007/s10870-019-00802-8