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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
Descripción
Sumario: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.