S. Failla et al., ADDITION OF CYCLOHEXYLISOTHIOCYANATE TO O,O-DIETHYL-N,N'-ETHYLENE-BIS-PHENYL METHYL PHOSPHONATE - X-RAY STRUCTURE OF THE CONDENSATION PRODUCT, Phosphorus, sulfur and silicon and the related elements, 122, 1997, pp. 237-246
The synthesis and the molecular structure of the title compound has be
en determined by single crystal X-ray analysis. C38H60N4O6P2S2 has a m
eso configuration, its crystal is monoclinic space group P2(1)/c with
a = 11.656(2), b = 18.480(4), c = 10.210(2), alpha = gamma = 90 degree
s, beta = 94.91(3)degrees and Z = 2. The refinement had a R-value 0.05
37 for 2045 reflections. Bond distances and angles are quite normal an
d were within the expected range for all of the atoms. The torsion ang
le, N1-C8-C8A-N1A, is 180 degrees so the molecule takes on a rather la
yered structure form one half to the other. There are a number of weak
intermolecular interactions, but the strongest is between S1 and the
hydrogens in C18 of the nearest neighbour molecule.