Title of article :
Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1H-indole-2,3-dione
Author/Authors :
Rayni, Ibtissam Laboratoire de Chimie Organique Hétérocyclique - Centre de Recherche des Sciences des Médicaments, URAC 21 - Pôle de Compétence Pharmacochimie, Morocco , Bakr, Youness El Organic Chemistry Department - Faculty of Science, RUDN University, Russian Federation , Lai, Chin-Hung Department of Medical Applied Chemistry - Chung Shan Medical University, Taiwan , Sebhaoui, Jihad Laboratoire de Chimie Organique Hétérocyclique - Centre de Recherche des Sciences des Médicaments, URAC 21 - Pôle de Compétence Pharmacochimie, Morocco , Essassi, El Mokhtar Laboratoire de Chimie Organique Hétérocyclique - Centre de Recherche des Sciences des Médicaments, URAC 21 - Pôle de Compétence Pharmacochimie, Morocco , Mague, Joel T. Department of Chemistry - Tulane University - New Orleans, USA
Abstract :
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 dihydroindoledione 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.
Keywords :
crystal structure , dihydroindoledione , hydrogen bond , micelle , π-stacking
