The 1:1 co-crystal of triphen-yl(2,3,5,6-tetra-fluoro-benz-yl)phospho-nium bromide and 1,1,2,2-tetra-fluoro-1,2-di-iodo-ethane.

ABSTRACT: The title compound, C25H18F4P(+)·Br(-)·C2F4I2, is a 1:1 co-crystal of triphen-yl(2,3,5,6-tetra-fluoro-benz-yl)phospho-nium (TTPB) bromide and 1,1,2,2-tetra-fluoro-1,2-di-iodo-ethane (TFDIE). The crystal structure consists of a framework of TTPB cations held together by C-H?Br inter-actions. In this framework, infinite channels along [100] are filled by TFDIE mol-ecules held together in infinite ribbons by short F?F [2.863?(2)-2.901?(2)Å] inter-actions. 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 inter-action [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 methyl-ene 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 tetra-fluoro-phenyl group make any short contacts.

SUBMITTER: Cavallo G 

PROVIDER: S-EPMC3914050 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature