Information card for entry 2234163

Structure parameters

• Chemical name: <i>N</i>-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
• Formula: C13 H11 Br N2 O2
• Calculated formula: C13 H11 Br N2 O2
• SMILES: c1(cccc(c1C)NC(=O)c1ccc[nH]c1=O)Br
• Title of publication: <i>N</i>-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
• Authors of publication: Xu, Yun-Hua; Long, Sihui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1134
• a: 7.164 ± 0.001 Å
• b: 7.715 ± 0.001 Å
• c: 10.446 ± 0.002 Å
• α: 88.23 ± 0.01°
• β: 89.18 ± 0.01°
• γ: 89.68 ± 0.01°
• Cell volume: 577.01 ± 0.16 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: 0.0426
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes