Structural and spectral characterization of a new non-centrosymmetric organic thiosulfate

Aqueous reaction of ammonium thiosulfate with ethylenediamine (en) results in the formation of the title compound (enH2)[S2O3] (1) (enH2 = ethylenediammonium) in good yields. Compound 1 was characterized by analytical data, IR, Raman and NMR spectra, X-ray powder pattern and its crystal structure was determined. The structure of 1 which crystallizes in the non-centrosymmetric orthorhombic space group P212121, consists of two crystallographically independent (enH2)2+ dications and two unique thiosulfate anions, which are interlinked by three varieties of H-bonding interactions, namely N–H⋯O, N–H⋯S, and C–H⋯O. 1H and 13C NMR spectra reveal the purity of 1 while its transparent nature can be evidenced from the UV–Vis–NIR spectral data. In compound 1 which exhibits SHG property, the infrared and Raman spectra confirm the presence of the organic dication and the thiosulfate anion.

Spectroscopic and structural characterization of the achiral compound ethylenediammonium thiosulfate crystallizing in the non-centrosymmetric orthorhombic space group P212121 is reported.Figure optionsDownload as PowerPoint slideHighlights
► Spectroscopic, structure characterization of an organic thiosulfate 1 is reported.
► 1 is an achiral molecule crystallizing in a non-centrosymmetric space group.
► 1H and 13C NMR spectra confirm the purity of 1.
► UV–Vis–NIR spectrum of 1 reveals its transparent nature.
► IR and Raman spectra confirm the presence of functional groups.