首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >The 1:1 co-crystal of triphen­yl(2356-tetra­fluoro­benz­yl)phospho­nium bromide and 1122-tetra­fluoro-12-di­iodo­ethane
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The 1:1 co-crystal of triphen­yl(2356-tetra­fluoro­benz­yl)phospho­nium bromide and 1122-tetra­fluoro-12-di­iodo­ethane

机译:三苯甲基(2356-四氟苄基)溴化磷鎓与1122-四氟-12-二碘代乙烷的1:1共晶体

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摘要

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.
机译:标题化合物C25H18F4P + ·Br -·C2F4I2是三苯基(2,3,5,6-四氟苄基)((TTPB)的1:1共结晶)溴化物和1,1,2,2-四氟-1,2-二碘乙烷(TFDIE)。晶体结构由TTPB阳离子通过CHBBr相互作用保持在一起的骨架组成。在此框架中,沿着[100]的无限通道由TFDIE分子通过短F⋯F [2.863(2)–2.901](2)Å]相互作用固定在无限带中而填充在一起。该结构在溴化物配位球中包含卤素键(XB)和氢键(HB)。 TFDIE充当单齿XB供体,因为只有一个I原子与Br -阴离子连接,并形成短而定向的相互作用[I⋯Br - 3.1798(7)Å和C-I⋯Br - 177.76(5)°]。溴化物阴离子的配位球由两个短的HBs(约2.8⋯Å(对于H⋯Br))和酸性的亚甲基H原子和两个较长的HBs(约3.0Å)与苯环的H原子组成。令人惊讶的是,TFDIE的第二碘原子或四氟氟苯基上的H原子都不形成任何短接触。

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