Information card for entry 2224750

Structure parameters

• Chemical name: <i>N</i>-(3-Bromo-5-methyl-2-pyridyl)-4-methylbenzenesulfonamide
• Formula: C13 H13 Br N2 O2 S
• Calculated formula: C13 H13 Br N2 O2 S
• SMILES: Brc1c(NS(=O)(=O)c2ccc(cc2)C)ncc(c1)C
• Title of publication: <i>N</i>-(3-Bromo-5-methyl-2-pyridyl)-4-methylbenzenesulfonamide
• Authors of publication: Peng, Ming; Luo, Youfu; Chen, Lijuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o205
• a: 11.832 ± 0.002 Å
• b: 13.305 ± 0.003 Å
• c: 8.6263 ± 0.0017 Å
• α: 90°
• β: 105.52 ± 0.03°
• γ: 90°
• Cell volume: 1308.5 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes