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Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate
In the crystal structure of the title compound, 5-fluorocytosinium picrate, C(4)H(5)FN(3)O(+)·C(6)H(2)N(3)O(7) (−), one N heteroatom of the 5-fluorocytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA(−)) anion. In the crystal, the...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347054/ https://www.ncbi.nlm.nih.gov/pubmed/28316809 http://dx.doi.org/10.1107/S205698901700216X |
Sumario: | In the crystal structure of the title compound, 5-fluorocytosinium picrate, C(4)H(5)FN(3)O(+)·C(6)H(2)N(3)O(7) (−), one N heteroatom of the 5-fluorocytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA(−)) anion. In the crystal, the 5FC(+) cation interacts with the PA(−) anion through three-centre N—H⋯O hydrogen bonds, forming two conjoined rings having R (2) (1)(6) and R (1) (2)(6) motifs, and is extended by N—H⋯O hydrogen bonds and C—H⋯O interactions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F⋯π interactions. |
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