Hydrogen bonds and π-π inter-actions in two new crystalline phases of methyl-ene blue.

ABSTRACT: Two unprecedented solid phases involving the 3,7-bis-(di-methyl-amino)-pheno-thia-zin-5-ium cation, i.e. methyl-ene blue (MB⁺ ), have been obtained and structurally characterized. In the crystals of 3,7-bis-(di-methyl-amino)-pheno-thia-zin-5-ium chloride dihydrate, C₁₆H₁₈N₃S⁺·Cl^-·2H₂O (I) and 3,7-bis-(di-methyl-amino)-pheno-thia-zinium bis-ulfite, C₁₆H₁₈N₃S⁺·HSO₄^- (II), the cationic dye mol-ecules are planar and disposed in an anti-parallel mode, showing π-π stacking inter-actions, with mean inter-planar distances of 3.326 (4) and 3.550 (3) Å in (I) and (II), respectively. In compound (I), whose phase

SUBMITTER: Canossa S 

PROVIDER: S-EPMC5947468 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature