15th Iranian Chemistry Conference , 2011-09-04

Title : ( Synthesis, spectroscopic characterization and crystal structure of two new phosphoramidic acide ester C6H5OP(O)[4-CH3-C6H5NH]2 (1) and C6H5OP(O)[HNC5H9]2 (2) )

Authors: sepide sadeghi , Mehrdad Pourayoubi ,

Citation: BibTeX | EndNote

Abstract

The extensive studies on the biochemical properties of phosphoramidate derivatives revealed various possibilities for their application in agrochemistry and medicine as insecticides and drugs [1, 2]. Two new phosphoramidate with formula C6H5OP(O)[4-CH3-C6H5NH]2 (1) and C6H5OP(O)[HNC5H9]2 (2) were synthesized and charactrized by 1H, 13C, 31P NMR and IR spectroscopy. The crystal structure of these compounds were determined using X-ray crystallography. The asymmetric unit of compound 1 [Monoclinic, P2(1)/n, a = 13.4732(5) Å, b = 8.4467(4) Å, c = 15.9832(6) Å, α = 90°, β = 95.669(4)°, γ = 90°] one molecules; whereas, the asymmetric unit of compound 2 [Triclinic, P-1, a = 7.7103(5) Å, b = 11.3723(10) Å, c = 18.6156(11) Å, α = 90.271(6)°, β = 90.128(5)°, γ = 94.665(6)°] contains two symmetrically independent molecules. Molecules in compound 1 are linked via N—H•••O═P hydrogen bonds into extended chains parallel to the b axis.The compound 2, appears as two crystallographically independent molecules that in each one, the intermolecular the P=O…H―N HBs are responsible to connection of the molecules together as 1-D chains.

Keywords

, phosphoramidate, X-ray crystallography, asymmetric unit
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@inproceedings{paperid:1025530,
author = {Sadeghi, Sepide and Pourayoubi, Mehrdad},
title = {Synthesis, spectroscopic characterization and crystal structure of two new phosphoramidic acide ester C6H5OP(O)[4-CH3-C6H5NH]2 (1) and C6H5OP(O)[HNC5H9]2 (2)},
booktitle = {15th Iranian Chemistry Conference},
year = {2011},
location = {همدان, IRAN},
keywords = {phosphoramidate; X-ray crystallography; asymmetric unit},
}

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%0 Conference Proceedings
%T Synthesis, spectroscopic characterization and crystal structure of two new phosphoramidic acide ester C6H5OP(O)[4-CH3-C6H5NH]2 (1) and C6H5OP(O)[HNC5H9]2 (2)
%A Sadeghi, Sepide
%A Pourayoubi, Mehrdad
%J 15th Iranian Chemistry Conference
%D 2011

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