Information card for entry 2228239

Structure parameters

• Chemical name: <i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-methoxymethyl- 4-methylbenzenesulfonamide
• Formula: C14 H15 Cl N2 O3 S
• Calculated formula: C14 H15 Cl N2 O3 S
• SMILES: Clc1cc(N(S(=O)(=O)c2ccc(cc2)C)COC)ncc1
• Title of publication: <i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-methoxymethyl-4-methylbenzenesulfonamide
• 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: o3321
• a: 15.1651 ± 0.001 Å
• b: 22.7953 ± 0.0013 Å
• c: 8.9132 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3081.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes