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2-Amino-5-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate
The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(6)S(−), contains two independent 2-amino-5-chloropyridinium cations and two independent 3-carboxy-4-hydroxybenzenesulfonate anions. In both anions, the O atoms of the sulfonate group are disordered over two sets of positions, w...
Autores principales: | , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008044/ https://www.ncbi.nlm.nih.gov/pubmed/21588670 http://dx.doi.org/10.1107/S1600536810032290 |
Sumario: | The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(7)H(5)O(6)S(−), contains two independent 2-amino-5-chloropyridinium cations and two independent 3-carboxy-4-hydroxybenzenesulfonate anions. In both anions, the O atoms of the sulfonate group are disordered over two sets of positions, with occupancy ratios of 0.47 (5):0.53 (5) and 0.50 (8):0.50 (8). In each anion, an intramolecular O—H⋯O hydrogen bond generating an S(6) motif is observed. In the crystal structure, the cations and anions are linked via N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (110). The structure is further stabilized by π–π interactions between cations and anions [centroid–centroid distance = 3.5454 (12) Å]. The crystal studied was a non-merohedral twin, with a ratio of the twin components of 0.715 (3):0.285 (3). |
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