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Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate
In the title molecular salt, C(6)H(10)N(3)O(+)·C(7)H(5)O(3) (−), the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)°. The anion features an intramolecular O—H⋯O hydro...
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/PMC5588567/ https://www.ncbi.nlm.nih.gov/pubmed/28932461 http://dx.doi.org/10.1107/S2056989017011252 |
Sumario: | In the title molecular salt, C(6)H(10)N(3)O(+)·C(7)H(5)O(3) (−), the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)°. The anion features an intramolecular O—H⋯O hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N—H⋯O hydrogen bonds [R (2) (2)(8) motif] to generate an ion pair in which the dihedral angle between the aromatic rings is 8.34 (9)°. Crystal symmetry relates two ion pairs bridged by further N—H⋯O hydrogen bonds into a tetrameric DDAA array. The tetramers are linked by pairs of C—H⋯O hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented. |
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