2,6-Diamino-5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-ylmethyl)-4-oxopyrimidin-1-ium 3,5-dinitrobenzoate

✍ Scribed by Subashini, Annamalai ;Muthiah, Packianathan Thomas ;Bocelli, Gabriele ;Cantoni, Andrea

• Publisher: International Union of Crystallography
• Year: 2007
• Tongue: English
• Weight: 958 KB
• Volume: 63
• Category: Article
• ISSN: 1600-5368
• DOI: 10.1107/s1600536807051276

✦ Synopsis

In the title compound, C~9~H~13~N~8~O~2~
^+^·C~7~H~3~N~2~O~6~
^−^, the aminopyrimidine molecule is protonated at one of the pyrimidine N atoms. The carboxylate group of the 3,5-dinitrobenzoate anion interacts with the protonated N atom and the 2-amino group in a nearly linear fashion through a pair of N—H...O hydrogen bonds, generating the typical R
~2~
^2^(8) motif. Two inversion-related pyrimidine units are connected through a pair of N—H...N hydrogen bonds, forming a cyclic hydrogen-bonded R
~2~
^2^(8) motif. In addition to the base pairing, one of the carboxylate O atoms bridges the 4′-amino and 6′-amino groups on both side of the pairing, forming a DADA array. The molecular conformation of the cation is stabilized by two intramolecular N—H...O hydrogen bonds.