Information card for entry 2208106

Structure parameters

• Common name: 2-iodo-benzenesulfonyl chloride
• Chemical name: 2-iodobenzenesulfonyl chloride
• Formula: C6 H4 Cl I O2 S
• Calculated formula: C6 H4 Cl I O2 S
• SMILES: Ic1c(S(=O)(=O)Cl)cccc1
• Title of publication: 2-Iodobenzenesulfonyl chloride
• Authors of publication: Stuart D. Robertson; Alexandra M. Z. Slawin; J. Derek Woollins
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o744 - o745
• a: 8.338 ± 0.003 Å
• b: 12.741 ± 0.003 Å
• c: 8.517 ± 0.002 Å
• α: 90°
• β: 109.797 ± 0.007°
• γ: 90°
• Cell volume: 851.3 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0164
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes