22nd Iranian Inorganic Chemistry Conference , 2023-08-23

Title : ( Synthesis, Spectroscopic Characterization and Crystal Structure of (EtO)2P(S)[1-(NHCH2)C6H4-3-(CH2NH)]P(S)(OEt)2 )

Authors: Yalda Khoshakhlagh Ostad , Mehrdad Pourayoubi , Michal Dusek , Morgane Poupon ,

Citation: BibTeX | EndNote

Abstract

Bisphosphoramidothioates are widely used as additives in polymers,pesticides in agricultureand drugs inpharmaceutics[1,2].In this research, we report on the synthesis of (EtO)2P(S)[1-(NHCH2)C6H4-3-(CH2NH)]P(S)(OEt)2,belonging to bisphosphoramidothioate family.Characterization was performed byFTIR,NMR (1H, 13C, and 31P),elemental analysis, Mass spectroscopyand X-ray crystallography.The crystallization solvent was chloroform and n-heptane (4:1 v/v), andthe compound crystallizes in the triclinic system, and space group P1 ̅with a= 10.0962 (2) Å, b= 10.5568 (2)Å, c= 11.5523 (2)Å, α= 83.6620 (16)o, β= 74.3410 (18)o,γ= 71.0050 (18)o, V= 1120.68 (4)Å3and Z= 2.The asymmetric unit consists of one complete molecule. In the crystal structure, the molecules are aggregated through N—H…S═P hydrogen bonds (which appears as red spots on the Hirshfeld surface) in a one-dimensional chain along the b-axis. The weaker contacts are C—H…S═P, C—H…π, and CH…HC, manifested as pale red spots on the Hirshfeld surface. The phosphorus signal appears at 72.82 ppm and molecular weight is441.In the IR spectrum, the band centered at 3275 cm–1 is attributed to the NH stretching frequency.

Keywords

, Crystal structure, bisphosphoramidothioate, NMR, Synthesis
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@inproceedings{paperid:1097691,
author = {Khoshakhlagh Ostad, Yalda and Pourayoubi, Mehrdad and مایکل دوسک and مورگان پوپون},
title = {Synthesis, Spectroscopic Characterization and Crystal Structure of (EtO)2P(S)[1-(NHCH2)C6H4-3-(CH2NH)]P(S)(OEt)2},
booktitle = {22nd Iranian Inorganic Chemistry Conference},
year = {2023},
location = {سنندج, IRAN},
keywords = {Crystal structure; bisphosphoramidothioate; NMR; Synthesis},
}

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%0 Conference Proceedings
%T Synthesis, Spectroscopic Characterization and Crystal Structure of (EtO)2P(S)[1-(NHCH2)C6H4-3-(CH2NH)]P(S)(OEt)2
%A Khoshakhlagh Ostad, Yalda
%A Pourayoubi, Mehrdad
%A مایکل دوسک
%A مورگان پوپون
%J 22nd Iranian Inorganic Chemistry Conference
%D 2023

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