Cargando…

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

The title compound, C(8)H(12)N(2)O(3)S(2), 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—H⋯O hydrogen bonds between the amine an...

Descripción completa

Detalles Bibliográficos
Autores principales: Pavlović, Gordana, Racané, Livio, Tralić-Kulenović, Vesna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969712/
https://www.ncbi.nlm.nih.gov/pubmed/21583084
http://dx.doi.org/10.1107/S1600536809016158
Descripción
Sumario:The title compound, C(8)H(12)N(2)O(3)S(2), 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—H⋯O hydrogen bonds between the amine and sulfothio­ate groups, with graph-set motif C(9)R (2) (2)(8), involving anti­parallel chains and a centrosymmetric eight-membered ring. A hydrogen bond with graph-set motif R (2) (2)(14) between the ammonium and sulfothio­ate groups completes the two-dimensional network in the ab plane. Inter­molecular C—H⋯O hydrogen bonds are also present in the crystal.