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

In the title mol­ecule, C(17)H(23)NO(2), 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 fo...

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Autores principales: Rayni, Ibtissam, El Bakri, Youness, Lai, Chin-Hung, Sebhaoui, Jihad, Essassi, El Mokhtar, Mague, Joel T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690466/
https://www.ncbi.nlm.nih.gov/pubmed/31417780
http://dx.doi.org/10.1107/S2056989019009691
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author Rayni, Ibtissam
El Bakri, Youness
Lai, Chin-Hung
Sebhaoui, Jihad
Essassi, El Mokhtar
Mague, Joel T.
author_facet Rayni, Ibtissam
El Bakri, Youness
Lai, Chin-Hung
Sebhaoui, Jihad
Essassi, El Mokhtar
Mague, Joel T.
author_sort Rayni, Ibtissam
collection PubMed
description In the title mol­ecule, C(17)H(23)NO(2), 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.
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spelling pubmed-66904662019-08-15 Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione Rayni, Ibtissam El Bakri, Youness Lai, Chin-Hung Sebhaoui, Jihad Essassi, El Mokhtar Mague, Joel T. Acta Crystallogr E Crystallogr Commun Research Communications In the title mol­ecule, C(17)H(23)NO(2), 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. International Union of Crystallography 2019-07-12 /pmc/articles/PMC6690466/ /pubmed/31417780 http://dx.doi.org/10.1107/S2056989019009691 Text en © Rayni et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Rayni, Ibtissam
El Bakri, Youness
Lai, Chin-Hung
Sebhaoui, Jihad
Essassi, El Mokhtar
Mague, Joel T.
Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione
title Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione
title_full Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione
title_fullStr Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione
title_full_unstemmed Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione
title_short Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1H-indole-2,3-dione
title_sort crystal structure, dft study and hirshfeld surface analysis of 1-nonyl-2,3-di­hydro-1h-indole-2,3-dione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690466/
https://www.ncbi.nlm.nih.gov/pubmed/31417780
http://dx.doi.org/10.1107/S2056989019009691
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