Information card for entry 1562967

Structure parameters

• Chemical name: Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
• Formula: C14 H13 Cl N2 O2
• Calculated formula: C14 H13 Cl N2 O2
• SMILES: Clc1c(c(Nc2ncccc2C(=O)OC)ccc1)C
• Title of publication: Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
• Authors of publication: Yang, Xing; Long, Sihui
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 5
• Pages of publication: x210539
• a: 6.919 ± 0.002 Å
• b: 9.653 ± 0.003 Å
• c: 19.319 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1290.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes