Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and¹⁵N NMR study

Abstract

We present the synthesis and characterization of seven new phosphoric triamides followed by analysis of hydrogen bond patterns of the new compounds as well as the phosphoric triamides found in the Cambridge Structural Database (CSD). The analysis of hydrogen bond patterns updates the previous work (Toghraee, Pourayoubi and Divjakovic in Polyhedron, 2011, 30, 1680) on phosphoric triamides with a C(O)NHP(O)[N]2 skeleton, and extends the analysis to other phosphoric triamides i.e. ones without a CO attached to the N of N–PO. For the new phosphoric triamides we also investigated their spectroscopic features (31P, 1H, 13C, and 15N NMR, mass spectroscopy, IR spectroscopy), measured the 1J(15N,31P) coupling constants and discussed the effective parameters.