Information card for entry 2238686

Structure parameters

• Common name: 2-(Benzylcarbamoyl)nicotinic acid
• Chemical name: 2-(Benzylcarbamoyl)pyridine-3-carboxylic acid
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: OC(=O)c1cccnc1C(=O)NCc1ccccc1
• Title of publication: 2-(Benzylcarbamoyl)nicotinic acid
• Authors of publication: Mao, Yan-Cao; Wu, Hao; Shan, Jin-Jun; Yan, Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1520
• a: 13.024 ± 0.003 Å
• b: 8.411 ± 0.0017 Å
• c: 23.143 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2535.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1133
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No