Information card for entry 2228238

Structure parameters

• Common name: <i>N</i>-(4-chloropyridin-2-yl)-<i>N</i>-tosylacetamide
• Chemical name: <i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide
• Formula: C14 H13 Cl N2 O3 S
• Calculated formula: C14 H13 Cl N2 O3 S
• SMILES: Clc1cc(N(S(=O)(=O)c2ccc(cc2)C)C(=O)C)ncc1
• Title of publication: <i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide
• Authors of publication: Bühler, Stefanie; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3320
• a: 12.578 ± 0.002 Å
• b: 7.546 ± 0.0008 Å
• c: 30.194 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2865.8 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes