Information card for entry 2103408

Structure parameters

• Chemical name: ortho-toluenesulfonamide
• Formula: C7 H9 N O2 S
• Calculated formula: C7 H9 N O2 S
• SMILES: S(=O)(=O)(N)c1c(cccc1)C
• 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: 18.7407 ± 0.0008 Å
• b: 18.7407 ± 0.0008 Å
• c: 9.1004 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.2 ± 0.2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Goodness-of-fit parameter for all reflections: 3.417
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No