Crystal structure of creatininium 5-(2,4-di-nitro-phen-yl)-1,3-di-methyl-barbiturate monohydrate: a potential anti-convulsant agent.
In the anion of the title hydrated mol-ecular salt, C4H8N3O(+)·C12H9N4O7 (-)·H2O [systematic name: 2-amino-1-methyl-4-oxo-4,5-di-hydro-1H-imidazol-3-ium 5-(2,4-di-nitro-phen-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate monohydrate], the 2,4-di-nitro-phenyl ring is inclined to the mean plane of the pyrimidine ring [r.m.s. deviation = 0.37 Å] by 43.24 (8)°. The five-membered ring of the creatininium cation (2-amino-1-methyl-4-oxo-4,5-di-hydro-1H-imidazol-3-ium) is essentially planar with an r.m.s. deviation of 0.015 Å. In the crystal, the anions and cations are linked via N-H⋯O hydrogen bonds, forming sheets parallel to the ab plane. The sheets are linked via O-H⋯O hydrogen bonds involving the water mol-ecule, forming a three-dimensional framework. Within the framework, there are C-H⋯O hydrogen bonds present. The title mol-ecular salt displays anti-convulsant and hypnotic activities.
PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, India.
Ponnusamy
P
Poornima Devi
PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, India.
Doraisamyraja
D
Kalaivani
5-(2,4-di­nitro­phen­yl)-N,N-di­methyl­barbiturate; anti­convulsant activity; creatinine; creatininium; crystal structure; hydrogen bonding