Information card for entry 2019264

Structure parameters

• Common name: <i>N</i>-(2-(pyridin-2-yl)ethyl)methanesulfonamide
• Chemical name: <i>N</i>-[2-(pyridin-2-yl)ethyl]methanesulfonamide
• Formula: C8 H12 N2 O2 S
• Calculated formula: C8 H12 N2 O2 S
• SMILES: CS(=O)(=O)NCCc1ccccn1
• Title of publication: <i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination
• Authors of publication: Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1397 - 1401
• a: 10.9122 ± 0.0016 Å
• b: 5.0428 ± 0.0007 Å
• c: 17.279 ± 0.003 Å
• α: 90°
• β: 93.284 ± 0.002°
• γ: 90°
• Cell volume: 949.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No