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 hydroge...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2017-09, Vol.73 (9), p.1305-1307
Hauptverfasser: Jeevaraj, Muthaiah, Sivajeyanthi, Palaniyappan, Edison, Bellarmin, Thanigaimani, Kaliyaperumal, Balasubramani, Kasthuri, Razak, Ibrahim Abdul
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Sprache:eng
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Zusammenfassung: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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989017011252