Information card for entry 2222383

Structure parameters

• Chemical name: 2-(4-Bromobenzenesulfonamido)benzoic acid
• Formula: C13 H10 Br N O4 S
• Calculated formula: C13 H10 Br N O4 S
• SMILES: Brc1ccc(S(=O)(=O)Nc2c(cccc2)C(=O)O)cc1
• Title of publication: 2-(4-Bromobenzenesulfonamido)benzoic acid
• Authors of publication: Arshad, Muhammad Nadeem; Khan, Islam Ullah; Akkurt, Mehmet; Shafiq, Muhammad; Mustafa, Ghulam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1610 - o1611
• a: 27.8316 ± 0.0011 Å
• b: 8.5684 ± 0.0004 Å
• c: 11.6632 ± 0.0005 Å
• α: 90°
• β: 98.196 ± 0.002°
• γ: 90°
• Cell volume: 2752.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes