Information card for entry 2208828

Structure parameters

• Chemical name: 4-(Acetylamino)benzenesulfonyl azide
• Formula: C8 H8 N4 O3 S
• Calculated formula: C8 H8 N4 O3 S
• SMILES: c1(ccc(cc1)NC(=O)C)S(=O)(=O)N=N#N
• Title of publication: 4-Acetamidobenzenesulfonyl azide
• Authors of publication: Vicarel, Monica L.; Norris, Peter; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1751 - o1753
• a: 8.0529 ± 0.0005 Å
• b: 22.988 ± 0.001 Å
• c: 8.3123 ± 0.0005 Å
• α: 90°
• β: 93.534 ± 0.001°
• γ: 90°
• Cell volume: 1535.85 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes