Information card for entry 2232730

Structure parameters

• Common name: 2-aminopyridinium-5-(3-chloro-4,6-dinitrophenyl)-1,3-dimethylbarbiturate
• Chemical name: 2-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethyl-2,4-dioxo- 1,2,3,4-tetrahydropyrimidin-6-olate
• Formula: C17 H15 Cl N6 O7
• Calculated formula: C17 H15 Cl N6 O7
• Title of publication: 2-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-6-olate
• Authors of publication: Manickkam, Vaduganathan; Kalaivani, Doraisamyraja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3475
• a: 8.578 ± 0.005 Å
• b: 11.229 ± 0.005 Å
• c: 19.952 ± 0.005 Å
• α: 90°
• β: 94.952 ± 0.005°
• γ: 90°
• Cell volume: 1914.7 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes