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

Title : ( Synthesisand X-Ray Crystal Structure of (C6H5C(O)NH)P(O)(NHC6H4-4-Cl)2, (CH3)2NC(O)H )

Authors: zinat eftekhary , Mehrdad Pourayoubi , Michal Dušek , Václav Eigner ,

Citation: BibTeX | EndNote

Abstract

The C(O)NHP(O)-based phosphoric triamides have attracted scientificattention as ligands with a wide range ofcoordinationpossibilities for p-, d- and f-block metals [1–4]. In this research, using phosphorus-chlorine reagent (C6H5C(O)NH)P(O)Cl2, a new C(O)NHP(O)-based phosphoric triamide, i.e. (C6H5C(O)NH)P(O)(NHC6H4-4-Cl)2, (CH3)2NC(O)H, was synthesized and characterized by IR, elemental analysis and singlecrystal X-ray diffraction. In IR spectrum, the frequencies at 1220 cm–1 and 1655 cm–1 are assigned to the P═O and C═O vibrations, respectively. The N—H stretching frequencies are appeared at 3163 cm–1, 3279 cm–1 and 3341 cm–1. The compound crystallizes in monoclinic space group C2/c with a = 18.6684(4) Å, b = 13.1559(3) Å, c= 20.2543(6) Å, β = 107.026(2)°, V = 4756.4(2) Å3 andZ = 8. In the structure, the N—H unit of the C(O)NHP(O) fragment adopts a syn orientation with respect to the phosphoryl group. Thecoordination environment around the phosphorus atom isa distorted tetrahedral andthe average of the six angles at the P atom is 109.42°. The asymmetric unit consists of one phosphoric triamide molecule and one dimethylformamidesolvent molecule. In the crystal paking, phosphoric triamide molecules and dimethylformamide molecules are linked through N—H…O hydrogen bonds, building R_2^2(8) and R_2^2(12) ring motifs between phosphoric triamide molecules and through discrete D(2) motifs between phosphoric triamide and dimethylformamide. The resultant aggreagation is a linear arrangement parallel to c axis.

Keywords

, phosphoric triamide, IR spectrum, hydrogen bond
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@inproceedings{paperid:1063090,
author = {Eftekhary, Zinat and Pourayoubi, Mehrdad and Michal Dušek and Václav Eigner},
title = {Synthesisand X-Ray Crystal Structure of (C6H5C(O)NH)P(O)(NHC6H4-4-Cl)2, (CH3)2NC(O)H},
booktitle = {18th Iranian Inorganic Chemistry Conference},
year = {2017},
location = {مشهد, IRAN},
keywords = {phosphoric triamide; IR spectrum; hydrogen bond},
}

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%0 Conference Proceedings
%T Synthesisand X-Ray Crystal Structure of (C6H5C(O)NH)P(O)(NHC6H4-4-Cl)2, (CH3)2NC(O)H
%A Eftekhary, Zinat
%A Pourayoubi, Mehrdad
%A Michal Dušek
%A Václav Eigner
%J 18th Iranian Inorganic Chemistry Conference
%D 2017

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