2J(P,C) and 3J(P,C) Coupling Constants in Some New Phosphoramidates. Crystal Structures of CF3C(O)N(H)P(O)[N(CH3)(CH2C6H5)]2 and 4-NO2-C6H4N(H)P(O)[4-CH3-NC5H9]2

摘要: Some new phosphoramidates were synthesized and characterized by 1H, 13C, 31P NMR, IR spectroscopy elemental analysis. The structures of CF3C(O)N(H)P(O)[N(CH3)(CH2C6H5)]2 (1) 4-NO2-C6H4N(H)P(O)[4-CH3-NC5H9]2 (6) confirmed X-ray single crystal determination. Compound 1 forms a centrosymmetric dimer compound 6 polymeric zigzag chain, both via -N-H…O=P- intermolecular hydrogen bonds. Also, weak C-H…F C-H…O bonds observed in compounds 6, respectively. 13C NMR spectra used for study 2J(P,C) 3J(P,C) coupling constants that showed the molecules containing N(C2H5)2 N(C2H5)(CH2C6H5) moieties, 2J(P,C)>3J(P,C). A contrast result was obtained involving five-membered ring aliphatic amine group, NC4H8. moiety NC4H8 are nearly same, but 3J(P, C) values larger than those with pyrrolidinyl ring. This comparison done six seven-membered groups. In formula XP(O)[N(CH2R)(CH2C6H5)]2, 2J(P,CH2)benzylic>2J(P,CH2)aliphatic, an agreement our previous study.