Information card for entry 2221968

Structure parameters

• Chemical name: <i>N</i>-Benzylpyridine-2-sulfonamide
• Formula: C12 H12 N2 O2 S
• Calculated formula: C12 H12 N2 O2 S
• SMILES: S(=O)(=O)(NCc1ccccc1)c1ncccc1
• Title of publication: <i>N</i>-Benzylpyridine-2-sulfonamide
• Authors of publication: Chen, Xiao-Ping; Han, Shou-Fa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1414
• a: 11.099 ± 0.002 Å
• b: 10.709 ± 0.002 Å
• c: 9.513 ± 0.002 Å
• α: 90°
• β: 91.893 ± 0.004°
• γ: 90°
• Cell volume: 1130.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes