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Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth-oxy-6-methyl-pyrimidinium 2-hy-droxy-benzoate.

ABSTRACT: In the title mol-ecular 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 intra-molecular 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 tetra-meric DDAA array. The tetra-mers are linked by pairs of C-H?O hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented.

SUBMITTER: Jeevaraj M

PROVIDER: S-EPMC5588567 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth-oxy-6-methyl-pyrimidinium 2-hy-droxy-benzoate.

Jeevaraj Muthaiah M Sivajeyanthi Palaniyappan P Edison Bellarmin B Thanigaimani Kaliyaperumal K Balasubramani Kasthuri K Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Crystallographic communications 20170808 Pt 9

In the title mol-ecular 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 intra-molecular O-H⋯O hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N-H⋯O hydrogen bonds [R2<sup ...[more]

PMID: 28932461

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