Information card for entry 1543531

Structure parameters

• Chemical name: 2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate
• Formula: C10 H9 N O4
• Calculated formula: C10 H9 N O4
• Title of publication: 2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate
• Authors of publication: Filali Baba, Yassir; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160997
• a: 20.7884 ± 0.0008 Å
• b: 3.7215 ± 0.0001 Å
• c: 23.8849 ± 0.0009 Å
• α: 90°
• β: 98.582 ± 0.002°
• γ: 90°
• Cell volume: 1827.14 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes