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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...

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Autores principales: Gilles, Arnaud, Barboiu, Mihail, Legrand, Yves-Marie, van Lee, Arie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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