Structure cristalline et moleculaire du thiophosphotris(enolpyruvate)

Abstract

Abstract The title compound C12H15O9PS has been synthesized. Its structure has been determined by X-ray single crystal methods. Crystals are monoclinic, space group C2 with a = 20.902(9) Å, b = 12.029(4) Å, c = 13.853(7) Å, β = 103.06(4)°, Z = 8, V = 3392 Å3, ϱc = 1.43 g/cm3, μ(MoKα ) = 3.13 cm−1, F(000) = 1520. The two crystallographic independent molecules are related by pseudo symmetry (x, 1/2 − y, 1/2 + z). The conjugation between the C–C double bond and the carbonyl atom of the ester is poor because they are not in the same plane. The relationship between structure and reactivity is discussed.