Information card for entry 2228877

Structure parameters

• Chemical name: 3-[4-(Acetamido)benzenesulfonamido]benzoic acid
• Formula: C15 H14 N2 O5 S
• Calculated formula: C15 H14 N2 O5 S
• SMILES: S(=O)(=O)(Nc1cccc(c1)C(=O)O)c1ccc(NC(=O)C)cc1
• Title of publication: 3-[4-(Acetamido)benzenesulfonamido]benzoic acid
• Authors of publication: Mirza, Sidra Muzaffar; Mustafa, Ghulam; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o25 - o26
• a: 7.9829 ± 0.0003 Å
• b: 8.4143 ± 0.0003 Å
• c: 12.6554 ± 0.0005 Å
• α: 70.888 ± 0.002°
• β: 81.553 ± 0.002°
• γ: 77.104 ± 0.002°
• Cell volume: 780.44 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes