Cargando…

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...

Descripción completa

Detalles Bibliográficos
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
Descripción
Sumario: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.