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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...

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Detalles Bibliográficos
Autores principales: Cavallo, Gabriella, Metrangolo, Pierangelo, Parisi, Melchiorre F., Pilati, Tullio, Resnati, Giuseppe, Terraneo, Giancarlo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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