Unknown

Dataset Information

0

Crystal structure of tri-methyl-ammonium 5-(2,4-di-nitro-phen-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate.


ABSTRACT: 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.

SUBMITTER: Gunaseelan S 

PROVIDER: S-EPMC4257181 | biostudies-other | 2014 Oct

REPOSITORIES: biostudies-other

altmetric image

Publications

Crystal structure of tri-methyl-ammonium 5-(2,4-di-nitro-phen-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate.

Gunaseelan Sridevi S   Doraisamyraja Kalaivani K  

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]

Similar Datasets

| S-EPMC3629635 | biostudies-literature
| S-EPMC3588294 | biostudies-literature
| S-EPMC3588430 | biostudies-literature
| S-EPMC4910318 | biostudies-literature
| S-EPMC3254393 | biostudies-other
| S-EPMC4459352 | biostudies-literature
| S-EPMC3120611 | biostudies-literature
| S-EPMC3275279 | biostudies-other
| S-EPMC3239101 | biostudies-literature
| S-EPMC2961510 | biostudies-literature