Green Chemistry.
Royal Society of Chemistry.
Vol. 21.
2019.
P. 300-306
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.
Authors
Rayni I.1
,
El Bakri Y. ,
Lai C.-H.3,
4
,
El Ghayati L. ,
Essassi E.M.1
,
Mague J.T.5
Publisher
International Union of Crystallography
Language
English
Pages
21-25
Status
Published
Link
Volume
75
Year
2019
Organizations
- 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
Keywords
crystal structure; Hirshfeld surface analysis; indole; π-stacking
Date of creation
04.02.2019
Date of change
04.02.2019
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