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2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate
In the title molecular salt, C(4)H(6)ClN(4) (+)·C(5)H(7)O(4) (−), the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H⋯O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the cr...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158549/ https://www.ncbi.nlm.nih.gov/pubmed/25249908 http://dx.doi.org/10.1107/S1600536814015220 |
Sumario: | In the title molecular salt, C(4)H(6)ClN(4) (+)·C(5)H(7)O(4) (−), the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H⋯O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). 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 with an R (2) (2)(8) ring motif. This motif further self-organizes through N—H⋯O and O—H⋯O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R (3) (2)(8), R (2) (2)(8), R (4) (2)(8), R (2) (2)(8) and R (3) (2)(8). In addition, another type of R (2) (2)(8) motif is formed by inversion-related pyrimidinium cations via N—H⋯N hydrogen bonds, forming a two-dimensional network parallel to (101). |
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