Adenin-1-ium hydrogen isophthalate di-methyl-formamide monosolvate.

ABSTRACT: In the title proton-transfer organic salt, C5H6.3N5 (+)·C8H4.7O4 (-)·C3H7NO, the adeninium moiety is protonated at the N atom in the 1-position of the 6-amino-7H-purin-1-ium (adeninium) cation. In the solid state, the second acidic proton of isophthalic acid is partially transferred to the imidazole N atom of the adeninium cation [refined O-H versus N-H ratio = 0.70 (11):0.30 (11)]. Through the partially transferred proton, the adeninium cation is strongly hydrogen bonded (N-H⋯O/O-H⋯N) to the isophthalate anion. This strong inter-action is assisted by another N-H⋯O hydrogen bond originating from the adeninium NH2 group towards the isophthalate keto O atom, with an R (2) 2(8) graph-set motif. This arrangement is linked via N-H⋯O hydrogen bonds to the O atoms of the carboxyl-ate group of an

SUBMITTER: Koteswara Rao V 

PROVIDER: S-EPMC3998323 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature