Information card for entry 1519230

Structure parameters

• Common name: p-aminobenzenesulfonamido-5-chloropyridine
• Chemical name: p-aminobenzenesulfonamido-5-chloropyridine
• Formula: C11 H10 Cl N3 O2 S
• Calculated formula: C11 H10 Cl N3 O2 S
• SMILES: S(=O)(=O)(Nc1ncc(Cl)cc1)c1ccc(N)cc1
• Title of publication: p-aminobenzenesulfonamide-5-chloropyridine
• Authors of publication: Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 175
• a: 12.476 ± 0.002 Å
• b: 14.045 ± 0.003 Å
• c: 15.134 ± 0.003 Å
• α: 90°
• β: 109.33 ± 0.03°
• γ: 90°
• Cell volume: 2502.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No