The synthesis and the molecular structure of the title compound has been determined by single crystal X-ray analysis. C38H60N4O6P2S2 has a meso 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 degrees, beta = 94.91(3)degrees and Z = 2. The refinement had a R-value 0.0537 for 2045 reflections. Bond distances and angles are quite normal and were within the expected range for all of the atoms. The torsion angle, N1-C8-C8A-N1A, is 180 degrees so the molecule takes on a rather layered 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.
|Titolo:||Addition of cyclohexylisothiocyanate to O,O-diethyl-N,N '-ethylene-bis-phenyl methyl phosphonate. X-ray structure of the condensation product|
|Data di pubblicazione:||1997|
|Appare nelle tipologie:||1.1 Articolo in rivista|