Crystal structure of bis(trimethylphosphine)iminium bromide monohydrate, [Me3PNPMe3]Br·H2O

Abstract

The crystal structure of the title compound has been determined by X-ray analysis. The crystals are triclinic, space group P, with a= 9.685(1), b= 11.449(4), c= 18.173(2)Å, α= 90.55(2), β= 91.50(1), and γ= 108.93(2)°, and Z= 6. The structure refined to R= 0.059 using 4 103 independent reflections. There are three crystallographically independent [Me₃PNPMe₃]⁺ cations, with mean PNP angles of 137.0° and mean PN distances of 1.582 Å. The anions and water of crystallisation are present in hydrogen-bonded Br₆(H₂O)₆^6– units.