Information card for entry 2240250

Structure parameters

• Chemical name: 2-[(Dichloromethane)sulfonyl]pyridine
• Formula: C6 H5 Cl2 N O2 S
• Calculated formula: C6 H5 Cl2 N O2 S
• SMILES: S(=O)(=O)(C(Cl)Cl)c1ncccc1
• Title of publication: Crystal structure of 2-[(dichloromethane)sulfonyl]pyridine
• Authors of publication: Chen, Zhiqiu; Bolat, Hembat; Wan, Xing; Li, Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1272
• a: 9.9647 ± 0.001 Å
• b: 12.2131 ± 0.0011 Å
• c: 15.7158 ± 0.0015 Å
• α: 90°
• β: 108.483 ± 0.001°
• γ: 90°
• Cell volume: 1814 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes