In the crystal structure of the title salt, C(6)H(10)N(3)O(+)·C(7)H(4)ClO(2)(-), 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 2.2â (1)°. In the anion, the benzene ring forms a dihedral angle of 8.5â (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-Hâ¯O(carbox-yl) hydrogen bonds, forming an R(2)(2)(8) ring motif linked through a centrosymmetric R(2)(4)(8) ring motif, resulting in a pseudo-tetra-meric DDAA array. These units are linked through inter-molecular meth-oxy C-Hâ¯Cl hydrogen bonds into ribbon-like chains extending along the c-axis direction. The crystal structure also features Ï-Ï stacking inter-actions between the rings in the cation and anion [minimum ring centroid separation = 3.7707â (12)â à ].
Crystal structure, hydrogen bonding and Hirshfeld surface analysis of 2-amino-4-meth-oxy-6-methyl-pyrimidinium 4-chloro-benzoate.
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作者:Jeevaraj Muthaiah, Sivajeyanthi Palaniyappan, Edison Bellarmin, Thanigaimani Kaliyaperumal, Balasubramani Kasthuri
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2018 | 起止号: | 2018 Apr 12; 74(Pt 5):656-659 |
| doi: | 10.1107/S2056989018005583 | ||
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