Synthesis, Spectroscopic Characterization and Crystal Structure of a New Acetyl phosphorylamidate P(O)[NHC(O)C6H4(4-NO2)][N(CH(CH3)2)(CH2C6H5)]2

• Published in: Journal of chemical crystallography 2009-12, Vol.39 (12), p.874-880
• Main Authors: Pourayoubi, Mehrdad, Sabbaghi, Fahimeh
• Format: Article
• Language: English
• Subjects: Chemistry; Chemistry and Materials Science; Crystallography and Scattering Methods; Inorganic Chemistry; Organometallic Chemistry; Original Paper; Physical Chemistry
• ISSN: 1074-1542; 1572-8854
• DOI: 10.1007/s10870-009-9582-4

A new acetyl phosphorylamidate P(O)[NHC(O)C 6 H 4 (4-NO 2 )][N(CH(CH 3 ) 2 )(CH 2 C 6 H 5 )] 2 has been synthesized and characterized by elemental analysis, 1 H, 13 C and 31 P NMR, IR and single crystal X-ray diffraction. Single crystal X-ray analysis shows that it belongs to triclinic system, space group , with a  = 10.5868(16) Å, b  = 11.8058(18) Å, c  = 12.4364(19) Å, α  = 65.410(3)°, β  = 67.492(4)°, γ  = 85.879(3)°, V  = 1,298.6(3) Å 3 , and Z  = 2. The intermolecular PO···HN hydrogen bond makes H-bonded dimer of molecule with Ci symmetry. In the crystal network, the dimers are aggregated in the chain arrays through π-stacking between p -NO 2 –C 6 H 4 –C(O)–NH– moieties. Moreover, weak C–H···O and C–H···π interactions exist in the crystal network. Graphical Abstract In the crystal network of P(O)[NHC(O)C 6 H 4 (4-NO 2 )][N(CH(CH 3 ) 2 )(CH 2 C 6 H 5 )] 2 , the H-bonded dimers with Ci symmetry are aggregated in the chain arrays through π-stacking between p- NO 2 –C 6 H 4 –C(O)–NH– moieties.