Information card for entry 2221194

Structure parameters

• Chemical name: 2-(2-Iodobenzenesulfonamido)acetic acid
• Formula: C8 H8 I N O4 S
• Calculated formula: C8 H8 I N O4 S
• SMILES: Ic1c(S(=O)(=O)NCC(=O)O)cccc1
• Title of publication: 2-(2-Iodobenzenesulfonamido)acetic acid
• Authors of publication: Arshad, Muhammad Nadeem; Khan, Islam Ullah; Shafiq, Muhammad; Mukhtar, Azam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o549
• a: 5.5877 ± 0.0002 Å
• b: 8.0145 ± 0.0002 Å
• c: 12.3584 ± 0.0004 Å
• α: 80.923 ± 0.002°
• β: 83.398 ± 0.002°
• γ: 88.038 ± 0.002°
• Cell volume: 542.81 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes