CRYSTAL AND MOLECULAR-STRUCTURE OF THIOPH OSPHOTRIS(ENOLPYRUVATE)

The title compound C12H15O9PS has been synthesized. Its structure has been determined by X-ray single crystal methods. Crystals are monoclin ic, space group C2 with a = 20.902(9) angstrom, b = 12.029(4) angstrom , c = 13.853(7) angstrom, beta = 103.06(4)degrees, Z = 8, V = 3392 ang strom3, phi(c) = 1.43 g/cm3, mu(MoK(alpha)) = 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 doubl e 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.