Information card for entry 4503599

Structure parameters

• Chemical name: 2-(Phenylamino)nicotinic acid
• Formula: C12 H10 N2 O2
• Calculated formula: C12 H10 N2 O2
• SMILES: n1c(c(ccc1)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: 21.48 ± 0.002 Å
• b: 7.205 ± 0.0008 Å
• c: 28.057 ± 0.003 Å
• α: 90°
• β: 110.467 ± 0.003°
• γ: 90°
• Cell volume: 4068.1 ± 0.7 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No