Information card for entry 2213541

Structure parameters

• Chemical name: 3-chloro-2-methylbenzene-1-sulfonyl chloride
• Formula: C7 H6 Cl2 O2 S
• Calculated formula: C7 H6 Cl2 O2 S
• SMILES: Clc1cccc(c1C)S(=O)(=O)Cl
• Title of publication: 3-Chloro-2-methylbenzene-1-sulfonyl chloride
• Authors of publication: Chan, Luisa; Daniels, Lee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2435 - o2435
• a: 11.7233 ± 0.0016 Å
• b: 9.8849 ± 0.0013 Å
• c: 16.216 ± 0.002 Å
• α: 90°
• β: 100.143 ± 0.002°
• γ: 90°
• Cell volume: 1849.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes