Crystal structure, hydrogen bonding and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate
| Autor: | Muthaiah Jeevaraj, Palaniyappan Sivajeyanthi, Bellarmin Edison, Kaliyaperumal Thanigaimani, Kasthuri Balasubramani |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 5, Pp 656-659 (2018) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989018005583 |
| Popis: | In the crystal structure of the title salt, C6H10N3O+·C7H4ClO2−, the dihedral angle between the pyrimidine ring of the 2-amino-4-methoxy-6-methylpyrimidine cation and the the benzene ring of the 2-chlorobenzoate 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 methoxy 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-chlorobenzoate anion through a pair of N—H...Ocarboxyl hydrogen bonds, forming an R22(8) ring motif linked through a centrosymmetric R24(8) ring motif, resulting in a pseudotetrameric DDAA array. These units are linked through intermolecular methoxy C—H...Cl hydrogen bonds into ribbon-like chains extending along the c-axis direction. The crystal structure also features π–π stacking interactions between the rings in the cation and anion [minimum ring centroid separation = 3.7707 (12) Å]. |
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