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

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Abstract

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.

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Acknowledgments

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

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Authors and Affiliations

  1. Department of Chemistry, Islamic Azad University-Zanjan Branch, P.O. Box 49195-467, Zanjan, Iran

    Mehrdad Pourayoubi & Fahimeh Sabbaghi

  2. Department of Chemistry, Ferdowsi University of Mashhad, 91779, Mashhad, Iran

    Mehrdad Pourayoubi

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  1. Mehrdad Pourayoubi
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  2. Fahimeh Sabbaghi
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Correspondence to Mehrdad Pourayoubi.

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Pourayoubi, M., Sabbaghi, F. Synthesis, Spectroscopic Characterization and Crystal Structure of a New Acetyl phosphorylamidate P(O)[NHC(O)C6H4(4-NO2)][N(CH(CH3)2)(CH2C6H5)]2 . J Chem Crystallogr 39, 874–880 (2009). https://doi.org/10.1007/s10870-009-9582-4

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  • DOI: https://doi.org/10.1007/s10870-009-9582-4

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