Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate

Jeevaraj M.; Sivajeyanthi P.; Edison B.Thanigaimani K.Balasubramani K.Razak I.A.

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Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate

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In the title molecular salt, C6H10N3O+·C7H5O3−, 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 R22(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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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第9期|1305-1307|共3页
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Jeevaraj M.; Sivajeyanthi P.; Edison B.Thanigaimani K.Balasubramani K.Razak I.A.;
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Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate

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Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate