A new phosphoric triamide structure: (CF3C(O)NH)P(O)(NHC6H4-4-CH3)2

The synthesis, spectroscopic characterization (1H-, 13C-, 31P-, 19F-NMR, IR and mass) and single crystal X-ray diffraction analysis of (CF3C(O)NH)P(O)(NHC6H4-4- CH3)2 were investigated. The compound was crystallized in the chiral space group P21 with a = 12.4895(5), b = 5.0537(2), c = 13.6482(6) Å, α = γ = 90° and β = 103.753(4)°. The asymmetric unit is composed of one complete molecule. The P═O, C═O and P―N bond lengths and P―N―C angles are within the expected values observed for analogous structures.1,2 The P atom has a distorted tetrahedral environment with the bond angles at the P atom within 101.9(1)° [N3-P1-N2] to 118.2(1)° [O2-P1-N3]. The N atoms bonded to P atom have mainly sp2 character. In the crystal structure, molecules are linked via N—H⋯O═P and N—H⋯O═C hydrogen bonds, into a one dimensional arrangement along the b axis, which includes the non-centrosymmetric ten-membered ...H/N/P/N/C/O...H/N/P/O... ring motifs.

Keywords:

Phosphoric triamide , Crystal structure , Hydrogen bond.