engleski

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

The title compound: S-5-amino-2-(dimethylammonio)phenyl sulfothioate has been isolated for the first time as the by-product in the synthesis of methylene blue dye and structurally characterized. The zwitterionic form has been established on the basis of hydrogen atom position at the dimethylamino group. The compound crystallizes in P-1 triclinic group with four crystallographically independent molecules within unit cell (Z'= 4). The existence of more molecules in the asymmetric unit then Z value could be described by conformational flexibility of phenyl sulfothioate moiety as well as of dimethylammonio cation. The crystal structure is dominated by the intermolecular hydrogen bonds of the N-H...O type formed between N-H groups and the oxygen atoms from sulfothioate group and by the C-H...O hydrogen bond type. There are two weak intermolecular N-H...N bonds.

crystal and molecular structure ; byproduct in the synthesis of methylene blue ; N-H...O ; C-H...O and N-H...N hydrogen bonds

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