Ontology highlight
ABSTRACT:
SUBMITTER: Gunaseelan S
PROVIDER: S-EPMC4257181 | biostudies-other | 2014 Oct
REPOSITORIES: biostudies-other
Acta crystallographica. Section E, Structure reports online 20140913 Pt 10
The asymmetric unit of the title mol-ecular salt, C3H10N(+)·C12H9N4O7 (-) [alternative name: tri-methyl-ammonium 5-(2,4-di-nitro-phen-yl)-1,3-dimethyl barbiturate], contains one anion and two half-occupancy cations. The cations are disordered about inversion centres. The tetra-hydro-pyrimidine ring is essentially planar [maximum deviation = 0.007 (2) Å] and forms a dihedral angle of 41.12 (6)° with the plane of the benzene ring. In the crystal, N-H⋯O hydrogen bonds link the cations to the anions ...[more]