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Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate
In the title compound, [Na(2)(N(3))(2)(C(21)H(34)N(2)O(6))(2)]·2CHCl(3), the sodium cation is heptacoordinated by five O atoms of the crown ether unit of the 1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea (L) ligand, the O atom of the urea group of th...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344347/ https://www.ncbi.nlm.nih.gov/pubmed/22590113 http://dx.doi.org/10.1107/S1600536812015590 |
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author | Gilles, Arnaud Barboiu, Mihail Legrand, Yves-Marie van Lee, Arie |
author_facet | Gilles, Arnaud Barboiu, Mihail Legrand, Yves-Marie van Lee, Arie |
author_sort | Gilles, Arnaud |
collection | PubMed |
description | In the title compound, [Na(2)(N(3))(2)(C(21)H(34)N(2)O(6))(2)]·2CHCl(3), the sodium cation is heptacoordinated by five O atoms of the crown ether unit of the 1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea (L) ligand, the O atom of the urea group of the second, symmetry-related L ligand, and one N atom of the azide anion. The experimentally determined distance 2.472 (2) Å between the terminal azide N atom and the sodium cation is substantially longer than that predicted from density functional theory (DFT) calculations (2.263 Å). The crown ethers complexing the sodium cation are related by an inversion centre and form dimers. The urea groups of the two L ligands are connected in a head-to-tail fashion by classical N—H⋯N hydrogen-bonding interactions and form a ribbon-like structure parallel to the b axis. Parallel ribbons are weakly linked through C—H⋯N, C—H⋯O and C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3344347 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33443472012-05-15 Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate Gilles, Arnaud Barboiu, Mihail Legrand, Yves-Marie van Lee, Arie Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Na(2)(N(3))(2)(C(21)H(34)N(2)O(6))(2)]·2CHCl(3), the sodium cation is heptacoordinated by five O atoms of the crown ether unit of the 1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea (L) ligand, the O atom of the urea group of the second, symmetry-related L ligand, and one N atom of the azide anion. The experimentally determined distance 2.472 (2) Å between the terminal azide N atom and the sodium cation is substantially longer than that predicted from density functional theory (DFT) calculations (2.263 Å). The crown ethers complexing the sodium cation are related by an inversion centre and form dimers. The urea groups of the two L ligands are connected in a head-to-tail fashion by classical N—H⋯N hydrogen-bonding interactions and form a ribbon-like structure parallel to the b axis. Parallel ribbons are weakly linked through C—H⋯N, C—H⋯O and C—H⋯π interactions. International Union of Crystallography 2012-04-18 /pmc/articles/PMC3344347/ /pubmed/22590113 http://dx.doi.org/10.1107/S1600536812015590 Text en © Gilles et al. 2012 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 | Metal-Organic Papers Gilles, Arnaud Barboiu, Mihail Legrand, Yves-Marie van Lee, Arie Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate |
title | Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate |
title_full | Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate |
title_fullStr | Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate |
title_full_unstemmed | Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate |
title_short | Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate |
title_sort | bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344347/ https://www.ncbi.nlm.nih.gov/pubmed/22590113 http://dx.doi.org/10.1107/S1600536812015590 |
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