Information card for entry 2205585

Structure parameters

• Chemical name: 3-methylanilinium picrate
• Formula: C13 H12 N4 O7
• Calculated formula: C13 H12 N4 O7
• Title of publication: 3-Methylanilinium picrate
• Authors of publication: Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1153 - o1155
• a: 12.439 ± 0.004 Å
• b: 16.9472 ± 0.0018 Å
• c: 7.4504 ± 0.0008 Å
• α: 90°
• β: 106.437 ± 0.018°
• γ: 90°
• Cell volume: 1506.4 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes