Information card for entry 2103409

Structure parameters

• Chemical name: 4-nitrobenzenesulfonamide
• Formula: C6 H6 N2 O4 S
• Calculated formula: C6 H6 N2 O4 S
• SMILES: S(=O)(=O)(N)c1ccc(cc1)N(=O)=O
• Title of publication: Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique
• Authors of publication: Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: 823 - 834
• a: 8.8424 ± 0.0003 Å
• b: 13.4933 ± 0.0004 Å
• c: 7.0732 ± 0.0002 Å
• α: 90°
• β: 100.466 ± 0.002°
• γ: 90°
• Cell volume: 829.89 ± 0.04 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 5.812
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No