Information card for entry 2238781

Structure parameters

• Chemical name: 2-Amino-6-chloro-<i>N</i>-methylbenzamide
• Formula: C8 H9 Cl N2 O
• Calculated formula: C8 H9 Cl N2 O
• SMILES: CNC(=O)c1c(N)cccc1Cl
• Title of publication: 2-Amino-6-chloro-<i>N</i>-methylbenzamide
• Authors of publication: Liang, Yan-Hui; Mei, Xiang-Dong; Li, Yao-Fa; Pan, Wen-Liang; Ning, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1642
• a: 9.2709 ± 0.0019 Å
• b: 11.812 ± 0.002 Å
• c: 15.982 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No