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[5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4)
The title compound, [Na(C(62)H(76)N(2)O(6))]I·1.5C(6)F(4)I(2)·2CH(3)OH, is composed of five components: a calix[4]arene derivative (hereinafter C4), a sodium cation, an iodide anion, a 1,2,4,5-tetrafluoro-3,6-diiodobenzene (tFdIB) molecule and a methanol molecule in a 1:1:1:1.5:2 ratio. The comp...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647790/ https://www.ncbi.nlm.nih.gov/pubmed/23723756 http://dx.doi.org/10.1107/S1600536813007757 |
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author | Cavallo, Gabriella Metrangolo, Pierangelo Parisi, Melchiorre F. Pilati, Tullio Resnati, Giuseppe Terraneo, Giancarlo |
author_facet | Cavallo, Gabriella Metrangolo, Pierangelo Parisi, Melchiorre F. Pilati, Tullio Resnati, Giuseppe Terraneo, Giancarlo |
author_sort | Cavallo, Gabriella |
collection | PubMed |
description | The title compound, [Na(C(62)H(76)N(2)O(6))]I·1.5C(6)F(4)I(2)·2CH(3)OH, is composed of five components: a calix[4]arene derivative (hereinafter C4), a sodium cation, an iodide anion, a 1,2,4,5-tetrafluoro-3,6-diiodobenzene (tFdIB) molecule and a methanol molecule in a 1:1:1:1.5:2 ratio. The complex shows several interesting features: (i) the polyoxygenated loop of C4 effectively chelates a sodium cation in the form of a distorted octahedron and separates it from the iodide counter-ion, the shortest Na(+)⋯I(−) distance being greater than 6.5 Å; (ii) the cavity of C4 is filled by a methanol molecule; (iii) a second methanol molecule is hydrogen-bonded to the N atom of a pyridinyl substituent pendant of C4 and halogen-bonded to the I atom of a tFdIB molecule; (iv) the two I atoms of another tFdIB molecule are halogen-bonded to two iodide anions, which act as monodentate halogen-bond acceptorss; (v) one of the two tFdIB molecules is located about a centre of inversion. |
format | Online Article Text |
id | pubmed-3647790 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36477902013-05-30 [5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) Cavallo, Gabriella Metrangolo, Pierangelo Parisi, Melchiorre F. Pilati, Tullio Resnati, Giuseppe Terraneo, Giancarlo Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Na(C(62)H(76)N(2)O(6))]I·1.5C(6)F(4)I(2)·2CH(3)OH, is composed of five components: a calix[4]arene derivative (hereinafter C4), a sodium cation, an iodide anion, a 1,2,4,5-tetrafluoro-3,6-diiodobenzene (tFdIB) molecule and a methanol molecule in a 1:1:1:1.5:2 ratio. The complex shows several interesting features: (i) the polyoxygenated loop of C4 effectively chelates a sodium cation in the form of a distorted octahedron and separates it from the iodide counter-ion, the shortest Na(+)⋯I(−) distance being greater than 6.5 Å; (ii) the cavity of C4 is filled by a methanol molecule; (iii) a second methanol molecule is hydrogen-bonded to the N atom of a pyridinyl substituent pendant of C4 and halogen-bonded to the I atom of a tFdIB molecule; (iv) the two I atoms of another tFdIB molecule are halogen-bonded to two iodide anions, which act as monodentate halogen-bond acceptorss; (v) one of the two tFdIB molecules is located about a centre of inversion. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647790/ /pubmed/23723756 http://dx.doi.org/10.1107/S1600536813007757 Text en © Cavallo et al. 2013 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 Cavallo, Gabriella Metrangolo, Pierangelo Parisi, Melchiorre F. Pilati, Tullio Resnati, Giuseppe Terraneo, Giancarlo [5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) |
title | [5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) |
title_full | [5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) |
title_fullStr | [5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) |
title_full_unstemmed | [5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) |
title_short | [5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) |
title_sort | [5,11,17,23-tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–methanol (2/3/4) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647790/ https://www.ncbi.nlm.nih.gov/pubmed/23723756 http://dx.doi.org/10.1107/S1600536813007757 |
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