Cavallo Gabriella, Metrangolo Pierangelo, Meyer Franck, Pilati Tullio, Resnati Giuseppe, Terraneo Giancarlo
NFMLab, Department of Chemistry, Materials and Chemical Engineering, "Giulio Natta", Politecnico di Milano, Via Mancinelli, 7, I-20131 Milano, Italy.
Laboratory of Biopolymers and Supramolecular Nanomaterials, Universitè Libre de Bruxelles (ULB), Campus de la Plaine, Boulevard du Triomphe, B-1050 Bruxelles, Belgium.
Acta Crystallogr Sect E Struct Rep Online. 2013 Dec 4;70(Pt 1):o9-o10. doi: 10.1107/S1600536813032522. eCollection 2014 Jan 1.
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.
标题化合物C25H18F4P(+)·Br(-)·C2F4I2是三苯基(2,3,5,6 - 四氟苄基)溴化鏻(TTPB)与1,1,2,2 - 四氟 - 1,2 - 二碘乙烷(TFDIE)的1:1共晶体。晶体结构由通过C - H⋯Br相互作用连接在一起的TTPB阳离子框架组成。在这个框架中，沿[100]方向的无限通道被TFDIE分子填充，这些分子通过短的F⋯F [2.863 (2)-2.901 (2)Å]相互作用在无限条带中连接在一起。该结构在溴化物配位球中包含卤键(XB)和氢键(HB)。TFDIE作为单齿XB供体，因为只有一个I原子与Br(-)阴离子相连并形成短程且有方向性的相互作用[I⋯Br(-) 3.1798 (7) Å和C - I⋯Br(-) 177.76 (5)°]。溴化物阴离子的配位球由与酸性亚甲基H原子形成的两个约2.8 Å（对于H⋯Br）的短HB和与苯环H原子形成的两个约3.0 Å的长HB完成。令人惊讶的是，TFDIE的第二个碘原子和四氟苯基上的H原子都没有形成任何短程接触。
