Crystal structure of 2-(4-methylphenyl)-2-oxo-1-(phenyliodonio)-1-(triphenylarsonio)ethanid tetrafluoroborate solved from X-ray powder data

Abstract

The crystal structure of 2-(4-methylphenyl)-2-oxo-1-(phenyliodonio)-1-(triphenylarsonio)ethanid tetrafluoroborate, C33H27AsIO+BF4 –, was solved and refined from laboratory X-ray powder diffraction data in combination with a DFT calculation (CoK α1, a=24.427(2) Å, b = 13.3412(18) Å, c=22.399(2) Å, β = 119.49(2)°, S.G. C2/c, R p/R wp = 0.030/0.039). The main features of the C33H27AsIO+BF4 – structure are similar to those reported previously for arsenium and phosphorous organic compounds. The distinctive features are short I … O and I … F (2.743(19) and 2.916(17) Å, respectively) intermolecular contacts, also observed previously in the same type of compound, refined from single crystal data.