Information card for entry 2214657

Structure parameters

• Common name: 4-phenylsulfonyloxy acetanilide
• Chemical name: N-[4-(Acetylamino)phenyl]benzenesulfonate
• Formula: C14 H13 N O4 S
• Calculated formula: C14 H13 N O4 S
• SMILES: S(=O)(=O)(c1ccccc1)Oc1ccc(cc1)NC(=O)C
• Title of publication: 4-(Acetylamino)phenyl benzenesulfonate
• Authors of publication: Vembu, Nagarajan; Sparkes, Hazel A.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3544 - o3544
• a: 11.9028 ± 0.0014 Å
• b: 8.7768 ± 0.0009 Å
• c: 13.7394 ± 0.0015 Å
• α: 90°
• β: 110.144 ± 0.004°
• γ: 90°
• Cell volume: 1347.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes