Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydro-pyrimidin-4-olate

The title molecular salt, C5H12NO+center dot H8N5O9- [common name: 4 -methyl-12 morpholin-4-ium 1,3-dimethy1-5-(2,4,6-trinitrophenyl)barbiturate], possesses noticeable anticonvulsant and hypnotic activity. In the anion, the 1,3-dimethylbarbituric acid ring and the symmetrically substituted trinitrophenyl ring, linked via a C C bond, are not coplanar but subtend an angle of 44.88 (7). The six membered ring of the 4-methylmorpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linked via an N-H center dot center dot center dot O hydrogen bond. The cation -anion units are linked by a number of C-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional network.