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Crystal structure of N,N′-di­decyl­pyromellitic di­imide

The title compound, C(30)H(44)N(2)O(4) [systematic name: 2,6-di­decyl­pyrrolo­[3,4-f]iso­indole-1,3,5,7(2H,6H)-tetra­one], consists of a central pyromellitic di­imide moiety with terminal decyl groups at the N-atom positions. The centre of the mol­ecule lies on a crystallographic inversion centre so...

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Detalles Bibliográficos
Autores principales: Im, Hansu, Choi, Myong Yong, Moon, Cheol Joo, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458305/
https://www.ncbi.nlm.nih.gov/pubmed/28638640
http://dx.doi.org/10.1107/S2056989017006867
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author Im, Hansu
Choi, Myong Yong
Moon, Cheol Joo
Kim, Tae Ho
author_facet Im, Hansu
Choi, Myong Yong
Moon, Cheol Joo
Kim, Tae Ho
author_sort Im, Hansu
collection PubMed
description The title compound, C(30)H(44)N(2)O(4) [systematic name: 2,6-di­decyl­pyrrolo­[3,4-f]iso­indole-1,3,5,7(2H,6H)-tetra­one], consists of a central pyromellitic di­imide moiety with terminal decyl groups at the N-atom positions. The centre of the mol­ecule lies on a crystallographic inversion centre so the asymmetric unit contains one half-mol­ecule. The mol­ecule exhibits a rod-shaped conformation, like other similar compounds of this type, the distance between the ends of terminal decyl groups being 32.45 Å. The packing is dominated by a lamellar arrangement of the mol­ecules, which is reinforced by C—H⋯O hydrogen bonds and C—O⋯π inter­actions, forming a classic herringbone structure. The mol­ecular structure is consistent with the theoretical calculations performed by density functional theory (DFT).
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spelling pubmed-54583052017-06-21 Crystal structure of N,N′-di­decyl­pyromellitic di­imide Im, Hansu Choi, Myong Yong Moon, Cheol Joo Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(30)H(44)N(2)O(4) [systematic name: 2,6-di­decyl­pyrrolo­[3,4-f]iso­indole-1,3,5,7(2H,6H)-tetra­one], consists of a central pyromellitic di­imide moiety with terminal decyl groups at the N-atom positions. The centre of the mol­ecule lies on a crystallographic inversion centre so the asymmetric unit contains one half-mol­ecule. The mol­ecule exhibits a rod-shaped conformation, like other similar compounds of this type, the distance between the ends of terminal decyl groups being 32.45 Å. The packing is dominated by a lamellar arrangement of the mol­ecules, which is reinforced by C—H⋯O hydrogen bonds and C—O⋯π inter­actions, forming a classic herringbone structure. The mol­ecular structure is consistent with the theoretical calculations performed by density functional theory (DFT). International Union of Crystallography 2017-05-12 /pmc/articles/PMC5458305/ /pubmed/28638640 http://dx.doi.org/10.1107/S2056989017006867 Text en © Im et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Im, Hansu
Choi, Myong Yong
Moon, Cheol Joo
Kim, Tae Ho
Crystal structure of N,N′-di­decyl­pyromellitic di­imide
title Crystal structure of N,N′-di­decyl­pyromellitic di­imide
title_full Crystal structure of N,N′-di­decyl­pyromellitic di­imide
title_fullStr Crystal structure of N,N′-di­decyl­pyromellitic di­imide
title_full_unstemmed Crystal structure of N,N′-di­decyl­pyromellitic di­imide
title_short Crystal structure of N,N′-di­decyl­pyromellitic di­imide
title_sort crystal structure of n,n′-di­decyl­pyromellitic di­imide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458305/
https://www.ncbi.nlm.nih.gov/pubmed/28638640
http://dx.doi.org/10.1107/S2056989017006867
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