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4-[(Benzyl­amino)­carbon­yl]-1-methyl­pyridinium bromide hemihydrate: X-ray diffraction study and Hirshfeld surface analysis

The hemihydrate of 4-[(benzyl­amino)­carbon­yl]-1-methyl­pyridinium bromide, C(14)H(15)N(2)O(+)·Br(−)·0.5H(2)O, was studied by single-crystal and powder X-ray diffraction methods. In the asymmetric unit, two organic cations of similar conformation, two bromide anions and one water mol­ecule are pres...

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Detalles Bibliográficos
Autores principales: Rudiuk, Vitalii V., Shaposhnik, Anna M., Baumer, Vyacheslav M., Levandovskiy, Igor A., Shishkina, Svitlana V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069518/
https://www.ncbi.nlm.nih.gov/pubmed/35547795
http://dx.doi.org/10.1107/S2056989022003784
Descripción
Sumario:The hemihydrate of 4-[(benzyl­amino)­carbon­yl]-1-methyl­pyridinium bromide, C(14)H(15)N(2)O(+)·Br(−)·0.5H(2)O, was studied by single-crystal and powder X-ray diffraction methods. In the asymmetric unit, two organic cations of similar conformation, two bromide anions and one water mol­ecule are present. In the crystal, N—H⋯Br hydrogen bonds link the cations and anions. The formation of a set of inter­molecular C—H⋯Br and C—H⋯π inter­actions result in double chains extending parallel to [011]. A Hirshfeld surface analysis showed high contributions of H⋯H and C⋯H/H⋯C short contacts to the total Hirshfeld surfaces of the cations.