Information card for entry 2014067

Structure parameters

• Chemical name: N-methyl-2-phenoxybenzenesulfonamide
• Formula: C13 H13 N O3 S
• Calculated formula: C13 H13 N O3 S
• SMILES: S(=O)(=O)(NC)c1c(Oc2ccccc2)cccc1
• Title of publication: Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having <i>Z</i>' = 4, and spontaneous resolution in monoclinic <i>N</i>-methyl-2-phenoxybenzenesulfonamide
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o364 - o367
• a: 5.3804 ± 0.0002 Å
• b: 7.9959 ± 0.0004 Å
• c: 14.4462 ± 0.0007 Å
• α: 90°
• β: 95.226 ± 0.002°
• γ: 90°
• Cell volume: 618.91 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes