Crystal structure and NMR spectra of 3-carboethoxy-3-triphenylphosphoranylidene-2-oxopropane triphenyl phosphonium bromide chloroform solvate

Abstract

The crystal structure of C42H37O3P2Br has been determined by single crystal X-ray diffraction. The title compound is monoclinic, space group P2(1)/n (Nr. 14), with unit cell parameters a = 11.220(6), b = 14.345(10), c = 25.616(17) Angstrom, beta = 97.21(5)degrees and Z = 4. The compound crystallizes with solvent molecules of chloroform, and has triphenylphosphonium ylide and triphenyl phosphonium salt moieties linked by the carbon chain of 3-carboethoxy-2-oxopropane. The H-1-, C-13- and P-31-NMR spectra are discussed and related to the crystal structure.