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Bis(2,6-diamino-4-chloropyrimidin-1-ium) fumarate
In the title salt, 2C(4)H(6)ClN(4) (+)·C(4)H(2)O(4) (2−), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxylate group is twisted slightly away from the attached plan...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588928/ https://www.ncbi.nlm.nih.gov/pubmed/23476164 http://dx.doi.org/10.1107/S1600536812045308 |
Sumario: | In the title salt, 2C(4)H(6)ClN(4) (+)·C(4)H(2)O(4) (2−), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxylate group is twisted slightly away from the attached plane, the dihedral angle between the carboxylate and (E)-but-2-ene planes being 12.78 (13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) ring motif. In addition, another type of R (2) (2)(8) motif is formed by centrosymmetrically related pyrimidinium cations via N—H⋯N hydrogen bonds. These two combined motifs form a heterotetramer. The crystal structure is further stabilized by stong N—H⋯O, N—H⋯Cl and weak C—H⋯O hydrogen bonds, resulting a three-dimensional network. |
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