Information card for entry 1519227

Structure parameters

• Common name: p-acetoamidobenzenesulfonamido-5-chloropyridine
• Chemical name: p-acetoamidobenzenesulfonamido-5-chloropyridine
• Formula: C13 H12 Cl N3 O3 S
• Calculated formula: C13 H12 Cl N3 O3 S
• SMILES: Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)nc1
• Title of publication: p-acetoamidobenzenesulfonamide-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: 164
• a: 7.879 ± 0.002 Å
• b: 9.393 ± 0.002 Å
• c: 10.085 ± 0.002 Å
• α: 90.01 ± 0.03°
• β: 108.24 ± 0.03°
• γ: 103.77 ± 0.03°
• Cell volume: 686.2 ± 0.3 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: 0.034
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No