Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile

In the title molecule, C21H25N3O, the 1-decyl substituents are in an extended conformation and intercalate in the crystal packing to form hydrophobic bands. The packing is further organized by π-π-stacking interactions between pyrrole and phenyl rings [centroid-centroid distance = 3.6178 (11) Å] and a C=O⋯π(pyrrole) interaction [3.447 (2) Å]. Hirshfeld surface analysis indicates that the H⋯N/N⋯H interactions make the highest contribution (17.4%) to the crystal packing. © Rayni et al. 2019.

Авторы
Rayni I.1 , El Bakri Y. , Lai C.-H.3, 4 , El Ghayati L. , Essassi E.M.1 , Mague J.T.5
Издательство
International Union of Crystallography
Язык
Английский
Страницы
21-25
Статус
Опубликовано
Том
75
Год
2019
Организации
  • 1 Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des Médicaments, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Rabat, Morocco
  • 2 Organic Chemistry Department, Science Faculty, 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; Hirshfeld surface analysis; indole; π-stacking
Дата создания
04.02.2019
Дата изменения
04.02.2019
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/36149/