Information card for entry 1519226

Structure parameters

• Common name: Benzenesulfonamido-5-methylpyridine
• Chemical name: Benzenrsulfonamido-5-methylpyridine
• Formula: C12 H12 N2 O2 S
• Calculated formula: C12 H12 N2 O2 S
• SMILES: S(=O)(=O)(N=c1[nH]cc(cc1)C)c1ccccc1
• Title of publication: N-(5-Methyl-pyridin-2-yl)-benzenesulfonamide
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 163
• a: 11.754 ± 0.002 Å
• b: 13.88 ± 0.003 Å
• c: 7.205 ± 0.001 Å
• α: 90°
• β: 107.18 ± 0.03°
• γ: 90°
• Cell volume: 1123 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No