Information card for entry 2239988
| Common name |
Trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl barbiturate |
| Chemical name |
Trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
| Formula |
C15 H19 N5 O7 |
| Calculated formula |
C15 H19 N5 O7 |
| Title of publication |
Crystal structure of trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
| Authors of publication |
Gunaseelan, Sridevi; Doraisamyraja, Kalaivani |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2014 |
| Journal volume |
70 |
| Journal issue |
10 |
| Pages of publication |
o1102 - o1103 |
| a |
9.8417 ± 0.0005 Å |
| b |
9.9474 ± 0.0006 Å |
| c |
10.4241 ± 0.0005 Å |
| α |
103.454 ± 0.002° |
| β |
106.479 ± 0.002° |
| γ |
100.856 ± 0.002° |
| Cell volume |
915.66 ± 0.09 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0758 |
| Residual factor for significantly intense reflections |
0.0506 |
| Weighted residual factors for significantly intense reflections |
0.1429 |
| Weighted residual factors for all reflections included in the refinement |
0.1636 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.985 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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