Information card for entry 2200777

Structure parameters

• Chemical name: N-methyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
• Formula: C14 H14 N2 O5 S
• Calculated formula: C14 H14 N2 O5 S
• SMILES: S(=O)(=O)(N(c1ccc(N(=O)=O)cc1Oc1ccccc1)C)C
• Title of publication: FJ6, <i>N</i>-methyl-<i>N</i>-(4-nitro-2-phenoxyphenyl)methanesulfonamide
• Authors of publication: Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Norberg, Bernadette; Dogné Jean-Michel; Durant, François
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1012 - o1013
• a: 14.522 ± 0.001 Å
• b: 10.439 ± 0.001 Å
• c: 10.523 ± 0.001 Å
• α: 90°
• β: 109.46 ± 0.004°
• γ: 90°
• Cell volume: 1504.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes