Abstract
The cyclic compound 2,4-bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione [systematic name: 2,4-bis(dimethylamino)-1,3-diethyl-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-dithione], C8H22N4P2S2 or [EtNP(S)NMe2]2, is member of a class of mol-ecules that may be used, by virtue of their complexation properties, for the extraction of metals. This compound was characterized in solution by (1H and 31P) NMR, and in the solid state by energy-dispersive X-ray spectroscopy (EDX) and by X-ray crystallography. In the crystal, the mol-ecule sits on an inversion centre such that the P and N atoms form a centrosymmetric cyclic P2N2 arrangement. The crystal packing is dominated by van der Waals inter-actions. The prevalence of these inter-actions is illustrated by an analysis of the three-dimensional Hirshfeld surface (HS) and by two-dimensional fingerprint plots (FP). The relative contribution of different inter-actions to the HS indicates that the H⋯H contacts account for 74.3% of the total HS area.
Highlights
The cyclic compound 2,4-bis(dimethylamino)-1,3-diethylcyclodiphosphazane2,4-dithione [systematic name: 2,4-bis(dimethylamino)-1,3-diethyl-1,3,25,45diazadiphosphetidine-2,4-dithione], C8H22N4P2S2 or [EtNP(S)NMe2]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 (1H and 31P) NMR, and in the solid state by energydispersive X-ray spectroscopy (EDX) and by X-ray crystallography
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
Summary
In the study of organophosphorus compounds, one of the aims is to prepare new complexing agents. The literature shows many studies of the bidentate organophosphorus ligands HN[P(E)R2]2 (E: O, S, Se; Balazs et al 1999; Silvestru et al 2000; Ghesner et al 2005; Cristurean et al 2008) and RN[P(E)R2]2 (Benabicha et al 1986; Ladeveze et al 1986; Alouani et al 2002, 2007; Peulecke et al 2009), etc. The P1—N1 distances in the ring [1.6856 (17) and 1.6719 (16) Å] are longer than the P1—N2 distance [1.6325 (19) Å], and the P1—S1 distance is 1.9291 (9) Å These geometric parameters are in agreement with those observed in related non-cyclic and cyclic neutral ligands (Hill et al, 1994; Alouani et al, 2002; Peulecke et al, 2009; Chandrasekaran et al 2011). The two molecules differ in the environments of the nitrogen atoms, which are all bound to ethyl groups in trans[(EtNH)P(S)NEt]2, the peripheral carbons of which are all disordered
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