Information card for entry 4503597

Structure parameters

• Chemical name: 2-(Phenylamino)nicotinic acid
• Formula: C12 H10 N2 O2
• Calculated formula: C12 H10 N2 O2
• SMILES: c1(c(cccn1)C(=O)O)Nc1ccccc1
• Title of publication: Polymorphism and Phase Behaviors of 2-(Phenylamino)nicotinic Acid
• Authors of publication: Long, Sihui; Parkin, Sean; Siegler, Maxime A.; Cammers, Arthur; Li, Tonglei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 4006
• a: 15.837 ± 0.003 Å
• b: 5.491 ± 0.001 Å
• c: 11.723 ± 0.002 Å
• α: 90°
• β: 99.76 ± 0.01°
• γ: 90°
• Cell volume: 1004.7 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No