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

Title : ( Synthesis, crystal structure and Hirshfeld surface analysis of rac-(C6H5O)(cyclo-C6H11NH)P(O)NH(2, 2 (CH3)2C3H4)NHP(O)(OC6H5)(NH-cyclo-C6H11) mixed-amidophosphinate )

Authors: Fatemeh Karimi Ahamadabad , Mehrdad Pourayoubi , Marek Nečas ,

Citation: BibTeX | EndNote

Abstract

A new racemic compound, (C6H5O)(cyclo-C6H11NH)P(O)NH(2, 2 (CH3)2C3H4)NHP(O)(OC6H5)(NH-cyclo-C6H11), was synthesized and characterized by 31P, 13C, 1H NMR and IR spectroscopies and single-crystal X-ray determination. The phosphorus atoms in this compound exhibit a distorted tetrahedral configuration, within an [O]P═O[N1][N2] environment. The two (C6H5O)P(O)(NH-cyclo-C6H11) fragments are bridged via an NHCH2C(CH3)2CH2HN linker and the environment of two chiral P atoms are a result of linking one phenoxy and two different amido groups. In the crystal structure, adjacent molecules are linked together through the (N–H)2...OP and N–H...OP hydrogen bonds in a two-dimensional network along the bc plane. The Hirshfeld surface analysis and two-dimensional fingerprint plot were used to study intermolecular interactions of the structure. The different N–H∙∙∙O hydrogen bonds are the characteristic interactions (red areas in the Hirshfeld surfaces). Two sharp spikes in the fingerprint plot are related to the (P)O…H(N) contacts.

Keywords

, Racemic compound, Single crystal X-ray analysis, Hydrogen bond, Hirshfeld surface analysis
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@inproceedings{paperid:1063112,
author = {Karimi Ahamadabad, Fatemeh and Pourayoubi, Mehrdad and Marek Nečas},
title = {Synthesis, crystal structure and Hirshfeld surface analysis of rac-(C6H5O)(cyclo-C6H11NH)P(O)NH(2, 2 (CH3)2C3H4)NHP(O)(OC6H5)(NH-cyclo-C6H11) mixed-amidophosphinate},
booktitle = {18th Iranian Inorganic Chemistry Conference},
year = {2017},
location = {مشهد, IRAN},
keywords = {Racemic compound; Single crystal X-ray analysis; Hydrogen bond; Hirshfeld surface analysis},
}

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%0 Conference Proceedings
%T Synthesis, crystal structure and Hirshfeld surface analysis of rac-(C6H5O)(cyclo-C6H11NH)P(O)NH(2, 2 (CH3)2C3H4)NHP(O)(OC6H5)(NH-cyclo-C6H11) mixed-amidophosphinate
%A Karimi Ahamadabad, Fatemeh
%A Pourayoubi, Mehrdad
%A Marek Nečas
%J 18th Iranian Inorganic Chemistry Conference
%D 2017

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