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Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2)

The cyclic compound 2,4-bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione [systematic name: 2,4-bis(dimethylamino)-1,3-diethyl-1,3,2λ(5),4λ(5)-diazadiphosphetidine-2,4-dithione], C(8)H(22)N(4)P(2)S(2) or [EtNP(S)NMe(2)](2), is member of a class of mol­ecules that may be used, by virtue o...

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Autores principales: Issaoui, Chokri, Chebbi, Hammouda, Alouani, Khaled, Guesmi, Abderrahmen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418783/
https://www.ncbi.nlm.nih.gov/pubmed/28529775
http://dx.doi.org/10.1107/S2056989017005187
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author Issaoui, Chokri
Chebbi, Hammouda
Alouani, Khaled
Guesmi, Abderrahmen
author_facet Issaoui, Chokri
Chebbi, Hammouda
Alouani, Khaled
Guesmi, Abderrahmen
author_sort Issaoui, Chokri
collection PubMed
description The cyclic compound 2,4-bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione [systematic name: 2,4-bis(dimethylamino)-1,3-diethyl-1,3,2λ(5),4λ(5)-diazadiphosphetidine-2,4-dithione], C(8)H(22)N(4)P(2)S(2) or [EtNP(S)NMe(2)](2), is member of a class of mol­ecules that may be used, by virtue of their complexation properties, for the extraction of metals. This compound was characterized in solution by ((1)H and (31)P) NMR, and in the solid state by energy-dispersive X-ray spectroscopy (EDX) and by X-ray crystallography. In the crystal, the mol­ecule sits on an inversion centre such that the P and N atoms form a centrosymmetric cyclic P(2)N(2) arrangement. The crystal packing is dominated by van der Waals inter­actions. The prevalence of these inter­actions is illustrated by an analysis of the three-dimensional Hirshfeld surface (HS) and by two-dimensional fingerprint plots (FP). The relative contribution of different inter­actions to the HS indicates that the H⋯H contacts account for 74.3% of the total HS area.
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spelling pubmed-54187832017-05-19 Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2) Issaoui, Chokri Chebbi, Hammouda Alouani, Khaled Guesmi, Abderrahmen Acta Crystallogr E Crystallogr Commun Research Communications The cyclic compound 2,4-bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione [systematic name: 2,4-bis(dimethylamino)-1,3-diethyl-1,3,2λ(5),4λ(5)-diazadiphosphetidine-2,4-dithione], C(8)H(22)N(4)P(2)S(2) or [EtNP(S)NMe(2)](2), is member of a class of mol­ecules that may be used, by virtue of their complexation properties, for the extraction of metals. This compound was characterized in solution by ((1)H and (31)P) NMR, and in the solid state by energy-dispersive X-ray spectroscopy (EDX) and by X-ray crystallography. In the crystal, the mol­ecule sits on an inversion centre such that the P and N atoms form a centrosymmetric cyclic P(2)N(2) arrangement. The crystal packing is dominated by van der Waals inter­actions. The prevalence of these inter­actions is illustrated by an analysis of the three-dimensional Hirshfeld surface (HS) and by two-dimensional fingerprint plots (FP). The relative contribution of different inter­actions to the HS indicates that the H⋯H contacts account for 74.3% of the total HS area. International Union of Crystallography 2017-04-11 /pmc/articles/PMC5418783/ /pubmed/28529775 http://dx.doi.org/10.1107/S2056989017005187 Text en © Issaoui et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Issaoui, Chokri
Chebbi, Hammouda
Alouani, Khaled
Guesmi, Abderrahmen
Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2)
title Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2)
title_full Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2)
title_fullStr Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2)
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2)
title_short Crystal structure and Hirshfeld surface analysis of the new cyclo­diphosphazane [EtNP(S)NMe(2)](2)
title_sort crystal structure and hirshfeld surface analysis of the new cyclo­diphosphazane [etnp(s)nme(2)](2)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418783/
https://www.ncbi.nlm.nih.gov/pubmed/28529775
http://dx.doi.org/10.1107/S2056989017005187
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