Information card for entry 2017707

Structure parameters

• Chemical name: 2-methylanilinium picrate
• Formula: C13 H12 N4 O7
• Calculated formula: C13 H12 N4 O7
• SMILES: c1(c(cccc1)C)[NH3+].c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate
• Authors of publication: Meng, Gao-Xiang; Yang, He-Lin; Cheng, Cui-Xia; Huang, Xin-Tang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o337 - o340
• a: 11.6501 ± 0.0003 Å
• b: 16.4813 ± 0.0004 Å
• c: 7.5754 ± 0.0002 Å
• α: 90°
• β: 94.269 ± 0.002°
• γ: 90°
• Cell volume: 1450.51 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes