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- W2024790779 abstract "The asymmetric unit of the title compound [systematic name: 4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonate trihydrate], C4H6N3O+·C5H9N2O7P2−·3H2O, contains one cytosinium cation, one zoledronate anion and three water molecules. The zoledronate anion has a zwitterionic character, in which each phosphonate group is singly deprotonated and an imidazole N atom is protonated. Furthermore, proton transfer takes place from one of the phosphonic acid groups of the zoledronate anion to one of the N atoms of the cytosinium cation. The cytosinium cation forms a C(6) chain, while the zoledronate anion forms a rectangular-shaped centrosymmetric dimer through N—H⋯O hydrogen bonds. The cations and anions are held together by N—H⋯O and O—H⋯O hydrogen bonds to form a one-dimensional polymeric tape. The three water molecules play a crucial role in hydrogen bonding, resulting in a three-dimensional hydrogen-bonded network." @default.
- W2024790779 created "2016-06-24" @default.
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- W2024790779 date "2011-02-16" @default.
- W2024790779 modified "2023-09-27" @default.
- W2024790779 title "Multiple hydrogen bonds in cytosinium zoledronate trihydrate" @default.
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- W2024790779 doi "https://doi.org/10.1107/s0108270111005191" @default.
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