Information card for entry 2006952

Structure parameters

• Chemical name: 4-Azidobenzenesulfonyl chloride
• Formula: C6 H4 Cl N3 O2 S
• Calculated formula: C6 H4 Cl N3 O2 S
• SMILES: c1(ccc(cc1)N=N#N)S(=O)(=O)Cl
• Title of publication: 4-Azidobenzenesulfonyl Chloride
• Authors of publication: Ziemer, Burkhard; Sauer, Erika
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: IUC9700034
• a: 8.1249 ± 0.0015 Å
• b: 10.9 ± 0.002 Å
• c: 10.132 ± 0.002 Å
• α: 90°
• β: 107.57 ± 0.02°
• γ: 90°
• Cell volume: 855.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.1352
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 0.71071 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes