Information card for entry 2241611

Structure parameters

• Chemical name: 2-Amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate
• Formula: C13 H16 N4 O4
• Calculated formula: C13 H16 N4 O4
• Title of publication: A redetermination from the original data of the crystal structure of 2-amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate
• Authors of publication: Fábry, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 512 - 515
• a: 6.6358 ± 0.0004 Å
• b: 7.556 ± 0.0005 Å
• c: 27.4226 ± 0.0016 Å
• α: 90°
• β: 94.418 ± 0.002°
• γ: 90°
• Cell volume: 1370.89 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes