18th Iranian Inorganic Chemistry Conference , 2017-03-07

Title : ( Synthesis and characterization of a new phosphoramide, [C6H5O]2P(O)[NH(N2C4H8)CH3] )

Authors: mahsa eghbali toolarood , Mehrdad Pourayoubi , Michal Dušek , Václav Eigner ,

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Recently, the syntheses and crystallography experiments were developed for some compounds with general formula (RO)2P(O)(NR1R2),1 for example [C6H5O]2P(O)[NHCH(CH3)2],2 [C6H5O]2P(O)[N(CH2C6H5)(C(S)NHCH2C6H5)]3 and [C6H5O]2P(O)[NHCH2(C6H5)].4 We report here the synthesis of [C6H5O]2P(O)[NH(N2C4H8)CH3] and its characterization by IR, mass spectrometery and single crystal X-ray diffraction. Single crystal X-ray analysis shows that it belongs to triclinic system, space group P-1, a = 9.5266(6) Å, b = 9.7336 (5) Å, c = 10.8779 (6) Å, α = 105.065(5)°, β = 95.052(5)°, γ = 113.987 (5)°, V = 868.18(10) (Å3), and Z = 2. In the crystal structure of title compound, adjacent molecules are linked via pairs of N—H•••O═P hydrogen bonds forming centrosymmetric dimers with an R22(8) ring motif with Ci symmetry. The P atom has a distorted tetrahedral configuration with bond angles in the range of 107.57 (7)° (O1—P1—N1) to, 115.80 (6)° (O2—P1—O1p). Mass spectrum of the title compound shows a molecular ion peak at m/z = 347, which is assigned to [M]+, and base peak (m/z = 99) is related to [(N2C4H8)CH3]+. The peak at m/z = 115 is assigned to the [NH(N2C4H8)CH3]+ cation with relatively high intensity (85%).


, Synthesis, phosphoramide, Crystal structure, Centrosymmetric dimer, N—H•••O
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author = {Eghbali Toolarood, Mahsa and Pourayoubi, Mehrdad and Michal Dušek and Václav Eigner},
title = {Synthesis and characterization of a new phosphoramide, [C6H5O]2P(O)[NH(N2C4H8)CH3]},
booktitle = {18th Iranian Inorganic Chemistry Conference},
year = {2017},
location = {مشهد, IRAN},
keywords = {Synthesis; phosphoramide; Crystal structure; Centrosymmetric dimer; N—H•••O},


%0 Conference Proceedings
%T Synthesis and characterization of a new phosphoramide, [C6H5O]2P(O)[NH(N2C4H8)CH3]
%A Eghbali Toolarood, Mahsa
%A Pourayoubi, Mehrdad
%A Michal Dušek
%A Václav Eigner
%J 18th Iranian Inorganic Chemistry Conference
%D 2017