Crystal and molecular structure of O,O-diisopropyl acetylphosphoroamidothioate

The structure of O,O-diisopropyl acetylphosphoroamidothioate (i-PrO)(2)P(S)NHC(O)Me was studied by single crystal X-ray diffraction. Two symmetrically independent molecules with essentially different conformations are present in the crystal. The geometric parameters of these molecules (bond lengths, bond and torsion angles) were discussed. In the crystal, these molecules are linked in infinite chains by intermolecular hydrogen bonds N-H . . .O=C.