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Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate

In the title mol­ecular salt, 2C(6)H(10)N(3)O(+)·C(8)H(4)O(4) (2−), the N atom of each of the two 2-amino-4-meth­oxy-6-methyl­pyrimidine mol­ecules lying between the amine and methyl groups has been protonated. The dihedral angles between the pyrimidine rings of the cations and the benzene ring of t...

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Detalles Bibliográficos
Autores principales: Jeevaraj, Muthaiah, Sivajeyanthi, Palaniyappan, Edison, Bellarmin, Thanigaimani, Kaliyaperumal, Balasubramani, Kasthuri, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730326/
https://www.ncbi.nlm.nih.gov/pubmed/29250389
http://dx.doi.org/10.1107/S2056989017013950
Descripción
Sumario:In the title mol­ecular salt, 2C(6)H(10)N(3)O(+)·C(8)H(4)O(4) (2−), the N atom of each of the two 2-amino-4-meth­oxy-6-methyl­pyrimidine mol­ecules lying between the amine and methyl groups has been protonated. The dihedral angles between the pyrimidine rings of the cations and the benzene ring of the succinate dianion are 5.04 (8) and 7.95 (8)°. Each of the cations is linked to the anion through a pair of N—H⋯O(carboxyl­ate) hydrogen bonds, forming cyclic R (2) (2)(8) ring motifs which are then linked through inversion-related N—H⋯O hydrogen bonds, giving a central R (2) (4)(8) motif. Peripheral amine N—H⋯O hydrogen-bonding inter­actions on either side of the succinate anion, also through centrosymmetric R (2) (2)(8) extensions, form one-dimensional ribbons extending along [211]. The crystal structure also features π–π stacking inter­actions between the aromatic rings of the pyrimidine cations [minimum ring centroid separation = 3.6337 (9) Å]. The inter­molecular inter­actions were also investigated using Hirshfeld surface studies and two-dimensional fingerprint images.