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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5418783 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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)
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title_full | Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe(2)](2)
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title_fullStr | Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe(2)](2)
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title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe(2)](2)
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title_short | Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe(2)](2)
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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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