Information card for entry 2237018

Structure parameters

• Chemical name: 2-Amino-<i>N</i>,3-dimethylbenzamide
• Formula: C9 H12 N2 O
• Calculated formula: C9 H12 N2 O
• SMILES: O=C(NC)c1c(N)c(ccc1)C
• Title of publication: 2-Amino-<i>N</i>,3-dimethylbenzamide
• Authors of publication: Mei, Xiang-dong; Liang, Yan-hui; Li, Ke-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3474
• a: 9.833 ± 0.006 Å
• b: 5.011 ± 0.003 Å
• c: 9.841 ± 0.006 Å
• α: 90°
• β: 118.27 ± 0.01°
• γ: 90°
• Cell volume: 427.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes