Information card for entry 2008105

Structure parameters

• Chemical name: m-Azidobenzensulfonyl chloride
• Formula: C6 H4 Cl N3 O2 S
• Calculated formula: C6 H4 Cl N3 O2 S
• SMILES: c1(cc(ccc1)N=N#N)S(=O)(=O)Cl
• Title of publication: <i>m</i>-Azidobenzenesulfonyl chloride
• Authors of publication: Ziemer, Burkhard; Sauer, Erika
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: IUC9800074
• a: 7.0459 ± 0.0014 Å
• b: 9.3399 ± 0.0014 Å
• c: 12.913 ± 0.003 Å
• α: 90°
• β: 92.72 ± 0.02°
• γ: 90°
• Cell volume: 848.8 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No