Tris(2-amino-1,3-thiazolium) hydrogen sulfate sulfate monohydrate

The centrosymmetric crystal structure of the novel semi-organic compound, 3C3H5N2S+·HSO4 −·SO4 2−·H2O, is based on chains of alternating anions and water molecules (formed by O—H⋯O hydrogen bonds). The chains are interconnected with the 2-amino-1,3-thiazolium cations via strong N—H⋯O and weak C—H⋯O hydrogen-bonding interactions into a three-dimensional network.


Comment
Recent ecological studies show interest in TiO 2 or SiO 2 particles modified by 2-aminothiazole. Sorption and photocatalytic reduction or degradation in aqueous solutions by 2-aminothiazole modified TiO 2 particles has been described (Cristante et al., 2007). Metal impurities in ethanol fuel can be detected by the electrodes modified with 2-aminothiazole organo-functionalized silica (Takeuchi et al., 2007).
The last few years, there is a huge interest in the field of fundamental research of conducting polymers such as polyaminothiazoles (Ciftci et al., 2011).
Natural and synthetic thiazole derivatives find applications as antioxidants, antibacterial drugs and fungicide (De et al. 2008;Aridoss et al., 2009). Anti-inflammatory, analgesic and antipyretic activities were observed for thiazolyl and benzothiazolyl derivatives (Franklin et al., 2008). The medical application of metal complexes of 2-aminothiazole and its derivatives involve their use as inhibitors of human cancer, Alzheimers disease, antitumor activity and activity against leukemia (Li et al., 2009;Alexandru et al., 2010).
The salt, bis(2-aminothiazolium) squarate dihydrate (Yesilel et al., 2008), was widely studied for hydrogen bond interactions, which are very attractive in the biological activities, biochemical processes, material and supramolecular chemistry.
The preparation of the title compound was motivated by the previous study on salts or cocrystals of similar aminotriazoles (Matulková et al., 2007(Matulková et al., , 2008. 2-aminothiazole compounds easily build hydrogen bonding networks, very useful for the preparation of materials with potential non-linear optical properties. Unfortunately, the title compound crystallizes in the centrosymmetric space group P2 1 /n, which excludes the second order non-linear optical properties. The crystal structure of the title compound (  (Table 1) into a three-dimensional network (Fig. 3). The cation rings are oriented along the axis b and are perpendicular to the ac plane.

Experimental
Crystals of the title compound, were obtained from a solution of 1.0 g of 2-aminothiazole (97%, Aldrich) and 0.56 ml of sulfuric acid (96%, Lachema) in 200 ml of water. The solution was left to crystallize at room temperature for several weeks.
The colourless crystals obtained were filtered off, washed with methanol and dried in a vacuum desiccator over KOH.
The infrared spectrum was recorded at room temperature using DRIFTS and the nujol or fluorolube mull techniques on a Nicolet Magna 6700 FTIR spectrometer with 2 cm -1 resolution and Happ-Genzel apodization in the 400-4000 cm -1 region.