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Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate
The asymmetric unit of the title compound, C(56)H(50)N(6)O(8)S(2)·3C(6)H(4)Cl(2), contains two half-molecules of the parent, A and B, which both have crystallographic inversion symmetry, together with three 2,3-dichlorobenzene molecules of solvation. Molecules A and B are conformationally simil...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050786/ https://www.ncbi.nlm.nih.gov/pubmed/27746951 http://dx.doi.org/10.1107/S2056989016015188 |
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author | Claudio-Catalán, Miguel Ángel Medrano, Felipe Tlahuext, Hugo Godoy-Alcántar, Carolina |
author_facet | Claudio-Catalán, Miguel Ángel Medrano, Felipe Tlahuext, Hugo Godoy-Alcántar, Carolina |
author_sort | Claudio-Catalán, Miguel Ángel |
collection | PubMed |
description | The asymmetric unit of the title compound, C(56)H(50)N(6)O(8)S(2)·3C(6)H(4)Cl(2), contains two half-molecules of the parent, A and B, which both have crystallographic inversion symmetry, together with three 2,3-dichlorobenzene molecules of solvation. Molecules A and B are conformationally similar, with dihedral angles between the central naphthalenediimide ring and the peripheral naphthalene and benzyl rings of 2.43 (7), 81.87 (7)° (A) and 3.95 (7), 84.88 (7)° (B), respectively. The conformations are stabilized by the presence of intramolecular π–π interactions between the naphthalene ring and the six-membered diimide ring of the central naphthalenediimide moiety, with ring centroid-to-centroid distances of 3.5795 (8) Å (A) and 3.5640 (8) Å (B). In the crystal, C—H⋯O hydrogen bonds link the molecules into infinite supramolecular chains along the c axis. These chains are interconnected through C—H⋯π and offset π–π interactions, generating supramolecular nanotubes which are filled by 1,2-dichlorobenzene molecules. |
format | Online Article Text |
id | pubmed-5050786 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50507862016-10-14 Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate Claudio-Catalán, Miguel Ángel Medrano, Felipe Tlahuext, Hugo Godoy-Alcántar, Carolina Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(56)H(50)N(6)O(8)S(2)·3C(6)H(4)Cl(2), contains two half-molecules of the parent, A and B, which both have crystallographic inversion symmetry, together with three 2,3-dichlorobenzene molecules of solvation. Molecules A and B are conformationally similar, with dihedral angles between the central naphthalenediimide ring and the peripheral naphthalene and benzyl rings of 2.43 (7), 81.87 (7)° (A) and 3.95 (7), 84.88 (7)° (B), respectively. The conformations are stabilized by the presence of intramolecular π–π interactions between the naphthalene ring and the six-membered diimide ring of the central naphthalenediimide moiety, with ring centroid-to-centroid distances of 3.5795 (8) Å (A) and 3.5640 (8) Å (B). In the crystal, C—H⋯O hydrogen bonds link the molecules into infinite supramolecular chains along the c axis. These chains are interconnected through C—H⋯π and offset π–π interactions, generating supramolecular nanotubes which are filled by 1,2-dichlorobenzene molecules. International Union of Crystallography 2016-09-30 /pmc/articles/PMC5050786/ /pubmed/27746951 http://dx.doi.org/10.1107/S2056989016015188 Text en © Claudio-Catalán et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Claudio-Catalán, Miguel Ángel Medrano, Felipe Tlahuext, Hugo Godoy-Alcántar, Carolina Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate |
title | Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate |
title_full | Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate |
title_fullStr | Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate |
title_full_unstemmed | Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate |
title_short | Crystal structure of N,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate |
title_sort | crystal structure of n,n′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050786/ https://www.ncbi.nlm.nih.gov/pubmed/27746951 http://dx.doi.org/10.1107/S2056989016015188 |
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