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

Autori
Pavlović, Gordana ; Racané, Livio ; Tralić-Kulenović, Vesna

Izvornik
Acta crystallographica. Section E, Structure reports online (1600-5368) 65 (2009), 6; 1215-1215

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
crystal and molecular structure ; intermediate in the synthesis of methylene blue ; N-H...O hydrogen bonds ; graph-set analysis

Sažetak
The title compound S-2-amino-5-(dimethylammonio)phenyl sulfothioate has been isolated as intermediate in the synthesis of methylene blue dye, the best known phenothiazine dye, and structurally characterized. The title compound can exist in two forms: the acidic and zwitterionic, which depends on the hydrogen atom position at sulfothioate group (for acidic form) or dimethylamino group (for zwiterionic form). The crystal structure is dominated by intermolecular hydrogen bonds of the N-H...O type formed between N-H groups and the oxygen atoms from sulfothioate group and the C-H...O type, The unitary graph set N1 =C(9)R22(8) consists of antiparallel infinite chains spreading along b axis and 8-membered rings. The chains are formed between sulfothioate and amino groups. On the basis of binary graph set N2=R22(14) the crystal structure can be described as consists of 2D antiparallel chains spreading in ab plane. There are no intramolecular hydrogen bonds.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Tekstilna tehnologija

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