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

Abstract: In the title compound, C18H26BrNO, 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.[Figure not available: see fulltext.]. © 2019, Springer Science+Business Media, LLC, part of Springer Nature.

Rayni I.1 , El Bakri Y. , Lai C.-H.3, 4 , Ali A.B.5 , Essassi E.M.1 , Mague J.T.6
Springer New York LLC
  • 1 Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des Médicaments, Pôle de Compétences Pharmacochimie, Faculté des Sciences, URAC 21, Université Mohammed V Rabat, Avenue Ibn Battouta, BP 1014, Rabat, Morocco
  • 2 Organic Chemistry Department, RUDN University, Miklukho-Maklayast. 6, Moscow, 117198, Russian Federation
  • 3 Department of Medical Applied Chemistry, Chung Shan Medical University, Taichung, 40241, Taiwan
  • 4 Department of Medical Education, Chung Shan Medical University Hospital, Taichung, 402, Taiwan
  • 5 Laboratoire de Chimie Appliquée des Matériaux, Faculty of Sciences, Centres des Sciences des Matériaux, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat, Morocco
  • 6 Department of Chemistry, Tulane University, New Orleans, LA 70118, United States
Ключевые слова
Crystal structure; DFT; Hirshfeld surface analysis; Hydrogen bond; Indole; Micelle
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