Information card for entry 2230335

Structure parameters

• Chemical name: 2-Chloro-4-(2-iodobenzenesulfonamido)benzoic acid
• Formula: C13 H9 Cl I N O4 S
• Calculated formula: C13 H9 Cl I N O4 S
• SMILES: Ic1c(S(=O)(=O)Nc2cc(Cl)c(cc2)C(=O)O)cccc1
• Title of publication: 2-Chloro-4-(2-iodobenzenesulfonamido)benzoic acid
• Authors of publication: Arshad, Muhammad Nadeem; Khan, Islam Ullah; Rafique, H. M.; Asiri, Abdullah M.; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1327
• a: 14.1522 ± 0.0008 Å
• b: 7.3203 ± 0.0004 Å
• c: 14.7193 ± 0.0008 Å
• α: 90°
• β: 104.892 ± 0.002°
• γ: 90°
• Cell volume: 1473.68 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1298
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes