Crystal structure, thermal analysis and IR spectrometric investigation of the tris(2,6-diaminopyridinium) hydrogen sulfate sulfate monohydrate

• A new organically templated hydrogen disulfate was synthesized and designed.
• The studied complex crystallizes in the triclinic space group P  1¯.
• The atomic arrangement shows three-dimensional network.
• The crystal packing is ensured by hydrogen bonds.
• This material was also investigated by spectroscopic IR and thermal analysis.

The crystals of new inorganic–organic hybrid material tris(2,6-diaminopyridinium) hydrogen sulfate sulfate monohydrate (C5H8N3)3(HSO4)(SO4)·H2O, were grown by slow evaporation technique in aqueous solution. The title compound has been prepared and characterized by X-ray diffraction, IR spectroscopy and thermal analysis. The complex crystallizes in the triclinic system, space group P  1¯, with the following cell parameters a = 8.051(3)Å, b = 10.646(4)Å, c = 14.138(6)Å, α = 73.23(3)°, β = 79.28(3)°, γ = 82.28(3)°, V = 1135.8(8)Å3 and Z = 2, T = 100 K. The crystal is built up from hydrogen sulfate anions HSO4−, sulfate anions SO42−, protonated cations (C5H8N3)+ and water molecules. In this compound, hydrogen bonding and π⋯π interactions play crucial roles in forming interesting structural patterns. Thermal analysis indicates that (C5H8N3)3(HSO4)(SO4)·H2O does not experience any structural phase transition in the temperature range measured from 25 to 700 °C. Therefore, the properties of the new phase are inconsistent with the characteristic features of the superprotonic family M3H(SO4)2.

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