Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1H-indole-2,3-dione

In the title molecule, C17H23NO2, the dihydroindole portion is planar (r.m.s. deviation = 0.0157 Å) and the nonyl substituent is in an 'extended' conformation. In the crystal, the nonyl chains intercalate and the dihydro-indoledione units are associated through C-H O hydrogen bonds to form micellar blocks. Based on the Hirshfeld surface analysis, the most important intermolecular interaction is the H H interaction. © 2019 International Union of Crystallography. All rights reserved.

Authors
Rayni I. 1 , Bakri Y.E. 2 , Lai C.-H. 3, 4 , Sebhaoui J. 1 , Essassi E.M. 1 , Mague J.T. 5
Journal
Acta Crystallographica Section E: Crystallographic Communications
Publisher
International Union of Crystallography
Language
English
Pages
1140-1144
State
Published
Link
External link
DOI
10.1107/S2056989019009691
Volume
75
Year
2019
Organizations
  • 1 Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des Médicaments, URAC 21, Pôle de Compétence Pharmacochimie, Faculté des Sciences, Université Mohammed V, Av Ibn Battouta, BP 1014, Rabat, Morocco
  • 2 Organic Chemistry Department, Faculty of Science, RUDN University, Miklukho-Maklaya St. 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 Department of Chemistry, Tulane University, New Orleans, LA 70118, United States
Keywords
Crystal structure; Dihydroindole-dione; Hydrogen bond; Micelle; Stacking
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