Information card for entry 1519229

Structure parameters

• Common name: p-aminobenzenesulfonamido-5-bromopyridine
• Chemical name: p-aminobenzenesulfonamido-5-bromopyridine
• Formula: C11 H10 Br N3 O2 S
• Calculated formula: C11 H10 Br N3 O2 S
• SMILES: Brc1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1
• Title of publication: p-aminobenzenesulfonamide-5-bromopyridine
• Authors of publication: Threlfall, Terry L.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 174
• a: 9.933 ± 0.002 Å
• b: 11.528 ± 0.002 Å
• c: 12.703 ± 0.003 Å
• α: 115.74 ± 0.03°
• β: 100.11 ± 0.03°
• γ: 95.54 ± 0.03°
• Cell volume: 1265.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No