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

  • Mehrdad Pourayoubi
  • Fahimeh Sabbaghi
Original Paper


A new acetyl phosphorylamidate P(O)[NHC(O)C6H4(4-NO2)][N(CH(CH3)2)(CH2C6H5)]2 has been synthesized and characterized by elemental analysis, 1H, 13C and 31P NMR, IR and single crystal X-ray diffraction. Single crystal X-ray analysis shows that it belongs to triclinic system, space group \( P\bar{1} \), 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) Å3, 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-NO2–C6H4–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)C6H4(4-NO2)][N(CH(CH3)2)(CH2C6H5)]2, the H-bonded dimers with Ci symmetry are aggregated in the chain arrays through π-stacking between p-NO2–C6H4–C(O)–NH– moieties.


Synthesis Phosphorylamidate Crystal structure NMR Centrosymmetic dimer N–H···O C–H···O and C–H···π interactions π–π stacking 



Support of this investigation by Islamic Azad University-Zanjan Branch is gratefully acknowledged.


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Copyright information

© Springer Science+Business Media, LLC 2009

Authors and Affiliations

  1. 1.Department of ChemistryIslamic Azad University-Zanjan BranchZanjanIran
  2. 2.Department of ChemistryFerdowsi University of MashhadMashhadIran

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