Information card for entry 1569533

Structure parameters

• Chemical name: <i>N</i>-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
• Formula: C12 H8 Cl2 N2 O2
• Calculated formula: C12 H8 Cl2 N2 O2
• SMILES: Clc1c(NC(=O)c2c(=O)[nH]ccc2)c(Cl)ccc1
• Title of publication: N-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
• Authors of publication: Tu, Ni; Long, Sihui
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 7
• Pages of publication: x230603
• a: 7.373 ± 0.0006 Å
• b: 8.0091 ± 0.0006 Å
• c: 10.8545 ± 0.0006 Å
• α: 97.296 ± 0.006°
• β: 95.228 ± 0.006°
• γ: 102.149 ± 0.007°
• Cell volume: 616.93 ± 0.08 ų
• Cell temperature: 297.4 ± 0.14 K
• Ambient diffraction temperature: 297.4 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No