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Crystal structure of (E)-2-(2-{5-[(2-acet­oxy­eth­yl)(meth­yl)amino]­thio­phen-2-yl}vin­yl)-3-methyl­benzo­thia­zolium iodide monohydrate

In the cation of the title hydrated salt, C(19)H(21)N(2)O(2)S(2) (+)·I(−)·H(2)O, the benzo­thia­zolium ring system is approximately planar [maximum deviation = 0.0251 (15) Å], and it makes a small dihedral angle of 1.16 (18)° with the plane of the thio­phene ring. In the crystal, the cations, anions...

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Detalles Bibliográficos
Autores principales: Sun, Xian-Shun, Wang, Ming-Ming, Li, Dan-Dan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257210/
https://www.ncbi.nlm.nih.gov/pubmed/25484696
http://dx.doi.org/10.1107/S1600536814020121
Descripción
Sumario:In the cation of the title hydrated salt, C(19)H(21)N(2)O(2)S(2) (+)·I(−)·H(2)O, the benzo­thia­zolium ring system is approximately planar [maximum deviation = 0.0251 (15) Å], and it makes a small dihedral angle of 1.16 (18)° with the plane of the thio­phene ring. In the crystal, the cations, anions and crystalline water mol­ecules are linked by classical O—H⋯O, O—H⋯I and weak C—H⋯O hydrogn bonds, forming a three-dimensional supra­molecular network. π–π stacking is observed between parallel thia­zole rings of adjacent cations [centroid–centroid distance = 3.5945 (16) Å].