Information card for entry 3500029

Structure parameters

• Common name: 2-Naphthylsulfonyl chloride
• Chemical name: 2-Naphthalenesulfonyl chloride
• Formula: C10 H7 Cl O2 S
• Calculated formula: C10 H7 Cl O2 S
• SMILES: S(=O)(=O)(Cl)c1ccc2c(c1)cccc2
• Title of publication: 2-Naphthylsulfonyl chloride
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 5.0373 ± 0.0002 Å
• b: 8.7819 ± 0.0003 Å
• c: 11.2288 ± 0.0004 Å
• α: 73.632 ± 0.002°
• β: 85.635 ± 0.002°
• γ: 82.993 ± 0.002°
• Cell volume: 472.58 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes