Information card for entry 2212946

Structure parameters

• Chemical name: Methyl 2-(2,3-dimethylanilino)benzoate
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: N(c1c(cccc1)C(=O)OC)c1c(c(ccc1)C)C
• Title of publication: Methyl 2-(2,3-dimethylanilino)benzoate
• Authors of publication: Nawaz, Hamid; Khawar Rauf, M.; Ebihara, Masahiro; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1658 - o1659
• a: 7.9018 ± 0.0002 Å
• b: 9.4463 ± 0.0002 Å
• c: 10.2847 ± 0.0006 Å
• α: 63.543 ± 0.015°
• β: 70.24 ± 0.02°
• γ: 84.96 ± 0.03°
• Cell volume: 645.01 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes