Information card for entry 2229671

Structure parameters

• Chemical name: Methyl 2-(4-acetamidobenzenesulfonamido)benzoate
• Formula: C16 H16 N2 O5 S
• Calculated formula: C16 H16 N2 O5 S
• SMILES: S(=O)(=O)(Nc1c(cccc1)C(=O)OC)c1ccc(NC(=O)C)cc1
• Title of publication: Methyl 2-(4-acetamidobenzenesulfonamido)benzoate
• Authors of publication: Khan, Islam Ullah; Sharif, Shahzad; Ali, Salamat; Ahmad, Waqar; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o903
• a: 8.2835 ± 0.0002 Å
• b: 9.3722 ± 0.0003 Å
• c: 10.8299 ± 0.0003 Å
• α: 85.537 ± 0.001°
• β: 88.614 ± 0.001°
• γ: 72.203 ± 0.001°
• Cell volume: 798.11 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes