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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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 |
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. |
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