Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Claudio-Catalán, Miguel Ángel, Medrano, Felipe, Tlahuext, Hugo, Godoy-Alcántar, Carolina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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
_version_ 1782457951664996352
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
work_keys_str_mv AT claudiocatalanmiguelangel crystalstructureofnnbis2benzyl5dimethylaminonaphthalen1ylsulfonylaminoethylnaphthalene1845tetracarboximide12dichlorobenzenetrisolvate
AT medranofelipe crystalstructureofnnbis2benzyl5dimethylaminonaphthalen1ylsulfonylaminoethylnaphthalene1845tetracarboximide12dichlorobenzenetrisolvate
AT tlahuexthugo crystalstructureofnnbis2benzyl5dimethylaminonaphthalen1ylsulfonylaminoethylnaphthalene1845tetracarboximide12dichlorobenzenetrisolvate
AT godoyalcantarcarolina crystalstructureofnnbis2benzyl5dimethylaminonaphthalen1ylsulfonylaminoethylnaphthalene1845tetracarboximide12dichlorobenzenetrisolvate