Information card for entry 2213750

Structure parameters

• Chemical name: Benzenesulfonamide
• Formula: C6 H7 N O2 S
• Calculated formula: C6 H7 N O2 S
• SMILES: O=S(=O)(c1ccccc1)N
• Title of publication: Benzenesulfonamide
• Authors of publication: B. Thimme Gowda; Roopa Nayak; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2967 - o2967
• a: 8.304 ± 0.002 Å
• b: 5.534 ± 0.001 Å
• c: 8.237 ± 0.002 Å
• α: 90°
• β: 111.36 ± 0.03°
• γ: 90°
• Cell volume: 352.53 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes