Crystal structure and biological evaluation of 4-methyl-morpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-tri-nitro-phen-yl)-1,2,3,6-tetra-hydro-pyrimidin-4-olate.

ABSTRACT: The title mol-ecular salt, C5H12NO(+)·C12H8N5O9 (-) [common name: 4-methyl-morpholin-4-ium 1,3-dimethyl-5-(2,4,6-tri-nitro-phen-yl)barbiturate], possesses noticeable anti-convulsant and hypnotic activity. In the anion, the 1,3-di-methyl-barbituric acid ring and the symmetrically substituted tri-nitro-phenyl 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-methyl-morpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linked via an N-H⋯O hydrogen bond. The cation-anion units are linked by a number of C-H⋯O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Gomathi J 

PROVIDER: S-EPMC4459352 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature