Information card for entry 2208234

Structure parameters

• Chemical name: 2-Methyl-6-nitroaniline
• Formula: C7 H8 N2 O2
• Calculated formula: C7 H8 N2 O2
• SMILES: O=N(=O)c1cccc(C)c1N
• Title of publication: 2-Methyl-6-nitroaniline
• Authors of publication: Jing, Zuo-Liang; Zhang, Qiao-Zhen; Jia, Jia; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1155 - o1156
• a: 8.9844 ± 0.0016 Å
• b: 11.359 ± 0.002 Å
• c: 14.785 ± 0.003 Å
• α: 90°
• β: 103.814 ± 0.002°
• γ: 90°
• Cell volume: 1465.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No