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

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-HO hydrogen bond, which closes...

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Bibliographic Details
Main Authors: Jeevaraj, Muthaiah (Author), Sivajeyanthi, Palaniyappan (Author), Edison, Bellarmin (Author), Thanigaimani, Kaliyaperumal (Author), Balasubramani, Kasthuri (Author), Razak, Ibrahim Abdul (Author)
Format: Article
Language:English
Published: International Union of Crystallography, 2017.
Subjects:
QC1-999 Physics
Online Access:Get fulltext
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Summary: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-HO hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N-HO hydrogen bonds [R2 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-HO hydrogen bonds into a tetrameric DDAA array. The tetramers are linked by pairs of C-HO hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented.

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