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.

Авторы
Rayni I. 1 , Bakri Y.E. 2 , Lai C.-H. 3, 4 , Sebhaoui J. 1 , Essassi E.M. 1 , Mague J.T. 5
Журнал
Acta Crystallographica Section E: Crystallographic Communications
Издательство
International Union of Crystallography
Язык
Английский
Страницы
1140-1144
Статус
Опубликовано
Ссылка
Внешняя ссылка
DOI
10.1107/S2056989019009691
Том
75
Год
2019
Организации
  • 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
Ключевые слова
Crystal structure; Dihydroindole-dione; Hydrogen bond; Micelle; Stacking
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