Information card for entry 2230109

Structure parameters

• Chemical name: 2-Methyl-4-(2-methylbenzamido)benzoic acid
• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• SMILES: N(C(=O)c1c(C)cccc1)c1cc(c(cc1)C(=O)O)C
• Title of publication: 2-Methyl-4-(2-methylbenzamido)benzoic acid
• Authors of publication: He, Fei-Fei; Shi, Ya-Bin; Xia, Song; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1050
• a: 23.318 ± 0.009 Å
• b: 10.23 ± 0.002 Å
• c: 13.901 ± 0.003 Å
• α: 90°
• β: 125.5 ± 0.03°
• γ: 90°
• Cell volume: 2699.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes