Information card for entry 2210738

Structure parameters

• Chemical name: N-(3-chloro-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
• Formula: C13 H11 Cl N2 O2
• Calculated formula: C13 H11 Cl N2 O2
• SMILES: c1(cccc(c1C)NC(=O)c1ccc[nH]c1=O)Cl
• Title of publication: <i>N</i>-(3-Chloro-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
• Authors of publication: Long, Sihui; Siegler, Maxime; Li, Tonglei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4278 - o4279
• a: 7.1514 ± 0.0002 Å
• b: 7.5805 ± 0.0002 Å
• c: 10.3268 ± 0.0003 Å
• α: 87.8186 ± 0.0014°
• β: 89.5131 ± 0.0014°
• γ: 89.2959 ± 0.0013°
• Cell volume: 559.36 ± 0.03 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0773
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes