Information card for entry 2019266

Structure parameters

• Common name: <i>N</i>-(2-(pyridin-2-yl)ethyl)toluensulfonamide
• Chemical name: <i>N</i>-[2-(pyridin-2-yl)ethyl]toluenesulfonamide
• Formula: C14 H16 N2 O2 S
• Calculated formula: C14 H16 N2 O2 S
• SMILES: Cc1ccc(cc1)S(=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: 7.6869 ± 0.0005 Å
• b: 15.7109 ± 0.001 Å
• c: 22.6742 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2738.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No