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-H⋯O hydrogen bond, which...

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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, 2017-09.
Subjects:
QC1-999 Physics
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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-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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