Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 1 (January 2014)

organic compounds

qk2057 scheme

Acta Cryst. (2014). E70, o9-o10    [ doi:10.1107/S1600536813032522 ]

The 1:1 co-crystal of triphen­yl(2,3,5,6-tetra­fluoro­benz­yl)phospho­nium bromide and 1,1,2,2-tetra­fluoro-1,2-di­iodo­ethane

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

Abstract: The title compound, C25H18F4P+·Br-·C2F4I2, is a 1:1 co-crystal of triphen­yl(2,3,5,6-tetra­fluoro­benz­yl)phospho­nium (TTPB) bromide and 1,1,2,2-tetra­fluoro-1,2-di­iodo­ethane (TFDIE). The crystal structure consists of a framework of TTPB cations held together by C-H...Br inter­actions. In this framework, infinite channels along [100] are filled by TFDIE mol­ecules held together in infinite ribbons by short F...F [2.863 (2)-2.901 (2)Å] inter­actions. The structure contains halogen bonds (XB) and hydrogen bonds (HB) in the bromide coordination sphere. TFDIE functions as a monodentate XB donor as only one I atom is linked to the Br- anion and forms a short and directional inter­action [I...Br- 3.1798 (7) Å and C-I...Br- 177.76 (5)°]. The coordination sphere of the bromide anion is completed by two short HBs of about 2.8 Å (for H...Br) with the acidic methyl­ene H atoms and two longer HBs of about 3.0 Å with H atoms of the phenyl rings. Surprisingly neither the second iodine atom of TFDIE nor the H atom on the tetra­fluoro­phenyl group make any short contacts.

CCDC reference: 974492

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