Information card for entry 2215594

Structure parameters

• Chemical name: o-Sulfamoylbenzoic acid
• Formula: C7 H7 N O4 S
• Calculated formula: C7 H7 N O4 S
• SMILES: S(=O)(=O)(N)c1ccccc1C(=O)O
• Title of publication: <i>o</i>-Sulfamoylbenzoic acid
• Authors of publication: Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Tariq, Muhammad Ilyas; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4117 - o4117
• a: 12.2 ± 0.004 Å
• b: 15.824 ± 0.006 Å
• c: 9.012 ± 0.004 Å
• α: 90°
• β: 100.45 ± 0.02°
• γ: 90°
• Cell volume: 1710.9 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes