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Bis(2,6-diamino-4-chloro­pyrimidin-1-ium) fumarate

In the title salt, 2C(4)H(6)ClN(4) (+)·C(4)H(2)O(4) (2−), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxyl­ate group is twisted slightly away from the attached plan...

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Detalles Bibliográficos
Autores principales: Thanigaimani, Kaliyaperumal, Khalib, Nuridayanti Che, Farhadikoutenaei, Abbas, Arshad, Suhana, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588928/
https://www.ncbi.nlm.nih.gov/pubmed/23476164
http://dx.doi.org/10.1107/S1600536812045308
Descripción
Sumario:In the title salt, 2C(4)H(6)ClN(4) (+)·C(4)H(2)O(4) (2−), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxyl­ate group is twisted slightly away from the attached plane, the dihedral angle between the carboxyl­ate and (E)-but-2-ene planes being 12.78 (13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) ring motif. In addition, another type of R (2) (2)(8) motif is formed by centrosymmetrically related pyrimidinium cations via N—H⋯N hydrogen bonds. These two combined motifs form a heterotetra­mer. The crystal structure is further stabilized by stong N—H⋯O, N—H⋯Cl and weak C—H⋯O hydrogen bonds, resulting a three-dimensional network.