Hirshfeld surface analysis of two new phosphorothioic triamide structures

Acta Crystallographica. Section C, Structural Chemistry
Amir Hossein AlamdarMargarida S Henriques

Abstract

Hirshfeld surfaces and two-dimensional fingerprint plots are used to analyse the intermolecular interactions in two new phosphorothioic triamide structures, namely N,N',N''-tris(3,4-dimethylphenyl)phosphorothioic triamide acetonitrile hemisolvate, P(S)[NHC6H3-3,4-(CH3)2]3·0.5CH3CN or C24H30N3PS·0.5CH3CN, (I), and N,N',N''-tris(4-methylphenyl)phosphorothioic triamide-3-methylpiperidinium chloride (1/1), P(S)[NHC6H4(4-CH3)]3·[3-CH3-C5H9NH2](+)·Cl(-) or C21H24N3PS·C6H14N(+)·Cl(-), (II). The asymmetric unit of (I) consists of two independent phosphorothioic triamide molecules and one acetonitrile solvent molecule, whereas for (II), the asymmetric unit is composed of three components (molecule, cation and anion). In the structure of (I), the different components are organized into a six-molecule aggregate through N-H···S and N-H···N hydrogen bonds. The components of (II) are aggregated into a two-dimensional array through N-H···S and N-H···Cl hydrogen bonds. Moreover, interesting features of packing arise in this structure due to the presence of a double hydrogen-bond acceptor (the S atom of the phosphorothioic triamide molecule) and of a double hydrogen-bond donor (the N-H unit of the cation). For both (I) and (II), the full finger...Continue Reading

References

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Citations

Jul 6, 2018·Acta Crystallographica. Section C, Structural Chemistry·Elham Torabi FarkhaniEkaterina S Shchegravina

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