Acta Cryst. (2009). E65, o1215  [ doi:10.1107/S1600536809016158 ]

S-2-Amino-5-(dimethylammonio)phenyl sulfothioate

G. Pavlovic, L. Racané and V. Tralic-Kulenovic

Abstract: The title compound, C₈H₁₂N₂O₃S₂, has been isolated as an intermediate in the synthesis of methylene blue dye, the best known phenothiazine dye, and structurally characterized as a zwitterion. The crystal structure is dominated by intermolecular N-HO hydrogen bonds between the amine and sulfothioate groups, with graph-set motif C(9)R₂²(8), involving antiparallel chains and a centrosymmetric eight-membered ring. A hydrogen bond with graph-set motif R₂²(14) between the ammonium and sulfothioate groups completes the two-dimensional network in the ab plane. Intermolecular C-HO hydrogen bonds are also present in the crystal.

Online 7 May 2009

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