Information card for entry 2226884

Structure parameters

• Chemical name: Methyl 2-benzenesulfonamidobenzoate
• Formula: C14 H13 N O4 S
• Calculated formula: C14 H13 N O4 S
• SMILES: c1(ccccc1)S(=O)(=O)Nc1ccccc1C(=O)OC
• Title of publication: Methyl 2-benzenesulfonamidobenzoate
• Authors of publication: John, Peter; Şahin, Onur; Khan, Islam Ullah; Ahmad, Waqar; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1956
• a: 8.341 ± 0.005 Å
• b: 9.115 ± 0.003 Å
• c: 10 ± 0.005 Å
• α: 84.483 ± 0.005°
• β: 80.663 ± 0.005°
• γ: 66.674 ± 0.004°
• Cell volume: 688.5 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0745
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes