Information card for entry 2225779

Structure parameters

• Chemical name: 2-Amino-4-methoxy-6-methylpyrimidin-1-ium picrate
• Formula: C12 H12 N6 O8
• Calculated formula: C12 H12 N6 O8
• Title of publication: 2-Amino-4-methoxy-6-methylpyrimidin-1-ium picrate
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.; Prakash Kamath, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1189 - o1190
• a: 8.9442 ± 0.0003 Å
• b: 6.2793 ± 0.0003 Å
• c: 27.0354 ± 0.0008 Å
• α: 90°
• β: 94.471 ± 0.003°
• γ: 90°
• Cell volume: 1513.78 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1159
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes