Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m236-m237    [ doi:10.1107/S1600536813007757 ]

[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)

G. Cavallo, P. Metrangolo, M. F. Parisi, T. Pilati, G. Resnati and G. Terraneo

Abstract: The title compound, [Na(C62H76N2O6)]I·1.5C6F4I2·2CH3OH, 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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