Crystal structure, hydrogen bonding and Hirshfeld surface analysis of 2-amino-4-meth-oxy-6-methyl-pyrimidinium 4-chloro-benzoate.

ABSTRACT: In the crystal structure of the title salt, C₆H₁₀N₃O⁺·C₇H₄ClO₂^-, the dihedral angle between the pyrimidine ring of the 2-amino-4-meth-oxy-6-methyl-pyrimidine cation and the the benzene ring of the 2-chloro-benzoate anion is 2.2 (1)°. In the anion, the benzene ring forms a dihedral angle of 8.5 (2)° with the carboxyl group. The pyrimidine N atom of the cation is protonated and the meth-oxy substituent is essentially coplanar with the parent ring. The protonated N atom and the N atom of the 2-amino group are hydrogen bonded to the 4-chloro-benzoate anion through a pair of N-H⋯O_carbox-yl hydrogen bonds, forming an R²₂(8) ring motif linked through a centrosymmetric

SUBMITTER: Jeevaraj M 

PROVIDER: S-EPMC5947481 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature