The title compound, C25H18F4P +·Br-·C2F4I 2, 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 2.8Å (for H⋯Br) with the acidic methylene H atoms and two longer HBs of about 3.0Å 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.

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

CAVALLO, GABRIELLA;METRANGOLO, PIERANGELO;PILATI, TULLIO MARIA;RESNATI, GIUSEPPE;TERRANEO, GIANCARLO
2014

Abstract

The title compound, C25H18F4P +·Br-·C2F4I 2, 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 2.8Å (for H⋯Br) with the acidic methylene H atoms and two longer HBs of about 3.0Å 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.
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
File in questo prodotto:
File Dimensione Formato  
The 1 1 co-crystal of triphenyl(2,3,5,6-tetrafluorobenzyl)phosphonium bromide and 1,1,2,2-tetrafluoro-1,2-diiodoethane.pdf

accesso aperto

: Altro materiale allegato
Dimensione 526.42 kB
Formato Adobe PDF
526.42 kB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11311/802720
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 1
  • ???jsp.display-item.citation.isi??? ND
social impact