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Crystal structure of 2,6-bis­(2-hy­droxy-5-methyl­phen­yl)-4-phenyl­pyridinium bromide di­chloro­methane hemisolvate hemihydrate

The asymmetric unit in the structure of the title compound, C(25)H(22)NO(2) (+)·Br (−)·0.5CH(2)Cl(2)·0.5H(2)O, comprises two pseudosymmetry-related cations, two bromide anions, a di­chloro­methane molecule and a water mol­ecule of solvation. The two independent cations are conformationally similar w...

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Detalles Bibliográficos
Autores principales: Mankaev, Badma N., Zaitsev, Kirill V., Karlov, Sergey S., Egorov, Mikhail P., Churakov, Andrei V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719919/
https://www.ncbi.nlm.nih.gov/pubmed/26870547
http://dx.doi.org/10.1107/S2056989015021386
Descripción
Sumario:The asymmetric unit in the structure of the title compound, C(25)H(22)NO(2) (+)·Br (−)·0.5CH(2)Cl(2)·0.5H(2)O, comprises two pseudosymmetry-related cations, two bromide anions, a di­chloro­methane molecule and a water mol­ecule of solvation. The two independent cations are conformationally similar with the comparative dihedral angles between the central pyridine ring and the three benzene substituent rings being 3.0 (2), 36.4 (1) and 24.2 (1)°, and 3.7 (2), 36.5 (1) and 24.8 (1)°, respectively. In the crystal, the cations, anions and water mol­ecules are linked through O—H⋯O and O—H⋯Br hydrogen bonds, forming an insular unit. Within the cations there are also intra­molecular N—H⋯O hydrogen bonds. Adjacent centrosymmetrically related aggregates are linked by π–π stacking inter­actions between the pyridine ring and a benzene ring in both cations [ring-centroid separations = 3.525 (3) and 3.668 (3) Å], forming chains extending across the ac diagonal. Voids between these chains are filled by dichloromethane molecules.