Thiaminium bis(bisulfate) monohydrate

Abstract

In the title compound, C12H18N4OS2+·2HSO4−·H2O, the protonated thia­mine cation exhibits the frequently observed F conformation with respect to the methyl­ene bridge atom. The value of the torsion angle φ5α formed by the side chain is quite different from the frequently observed range, possibly because of the packing specificity/hydrogen bonding of the crystal structure. The thia­zolium and pyrimidine rings inter­act with the anions through inter­molecular/electrostatic contacts. The thia­mine cations form `head-to-head' hydrogen-bonded dimers. The bis­ulfate anions are dimerized themselves and an extensive three-dimensional network of classical hydrogen bonds is observed through the anionic dimers. The anions occupy positions close to the `anionic holes' of the thia­mine cation, leading to a host–guest structure.