Information card for entry 2014066

Structure parameters

• Chemical name: 2-Phenoxybenzenesulfonamide
• Formula: C12 H11 N O3 S
• Calculated formula: C12 H11 N O3 S
• SMILES: S(=O)(=O)(N)c1c(cccc1)Oc1ccccc1
• 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: 5.2539 ± 0.0002 Å
• b: 16.209 ± 0.0008 Å
• c: 26.5417 ± 0.0009 Å
• α: 84.85 ± 0.002°
• β: 88.951 ± 0.002°
• γ: 87.607 ± 0.002°
• Cell volume: 2248.97 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No