Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)

organic compounds

Acta Cryst. (2013). E69, o865-o866    [ doi:10.1107/S1600536813012397 ]

Tetra­phenyl­phospho­nium iodide-1,3,5-tri­fluoro-2,4,6-tri­iodo­benzene-methanol (3/4/1)

G. Cavallo, P. Metrangolo, T. Pilati, G. Resnati and G. Terraneo

Abstract: The crystallization of a 1:1 molar solution of 1,3,5-tri­fluoro-2,4,6-di­iodo­benzene (TFTIB) and tetra­phenyl­phosponium iodide (TPPI) from methanol produced tetra­gonal needles of pure TPPI and tabular pseudo-hexa­gonal truncated bipyramids of the title compound, 3C24H20P+·3I-·4C6F3I3·CH4O or (TPPI)3(TFTIB)4·MeOH. The asymmetric unit is composed of six TPPI mol­ecules, eight TFTIB mol­ecules and two methanol mol­ecules, overall 16 constituents. The formation of the architecture is essentially guided by a number of C-I...I- halogen bonds (XB), whose lengths are in the range 3.276 (1)-3.625 (1) Å. Layers of supra­molecular polyanions are formed parallel to (10-1) wherein iodide anions function as penta-, tetra- or bidentate XB acceptors. The structure is not far from being P21/n, but the centrosymmetry is lost due to a different conformation of a single couple of cations and the small asymmetry in the formed supra­molecular anion. One methanol mol­ecule is hydrogen bonded to an iodide anion, while the second is linked to the first one via an O-H...O contact. This second methanol mol­ecule is more loosely pinned in its position than the first and presents very high anisotropic displacement parameters and a seeming shortening of the C-O bond length. The crystal studied was refined as a perfect inversion twin.

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