Information card for entry 2234135

Structure parameters

• Common name: 2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate
• Chemical name: 2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo- 1,2,3,6-tetrahydropyrimidin-4-olate
• Formula: C18 H17 N5 O7
• Calculated formula: C18 H17 N5 O7
• Title of publication: 2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate
• Authors of publication: Sridevi, Gunaseelan; Kalaivani, Doraisamyraja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1044
• a: 12.8242 ± 0.0008 Å
• b: 7.0696 ± 0.0005 Å
• c: 21.5409 ± 0.0014 Å
• α: 90°
• β: 101.029 ± 0.002°
• γ: 90°
• Cell volume: 1916.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes