S-2-Amino-5-(dimethyl-ammonio)phenyl sulfothio-ate
Gordana Pavlović1, Livio Racané, Vesna Tralić-Kulenović
1Faculty of Textile Technology, Laboratory of Applied Chemistry, University of Zagreb, Prilaz baruna Filipovića 28a, HR-10000 Zagreb, Croatia.
Abstract:
The title compound, C(8)H(12)N(2)O(3)S(2), has been isolated as an inter-mediate in the synthesis of methyl-ene blue dye, the best known phenothia-zine dye, and structurally characterized as a zwitterion. The crystal structure is dominated by inter-molecular N-H⋯O hydrogen bonds between the amine and sulfothio-ate groups, with graph-set motif C(9)R(2) (2)(8), involving anti-parallel chains and a centrosymmetric eight-membered ring. A hydrogen bond with graph-set motif R(2) (2)(14) between the ammonium and sulfothio-ate groups completes the two-dimensional network in the ab plane. Inter-molecular C-H⋯O hydrogen bonds are also present in the crystal.
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