Information card for entry 2239076

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(4-methoxybenzoyl)benzenesulfonamide
• Formula: C14 H12 Cl N O4 S
• Calculated formula: C14 H12 Cl N O4 S
• SMILES: COc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1Cl
• Title of publication: 2-Chloro-<i>N</i>-(4-methoxybenzoyl)benzenesulfonamide
• Authors of publication: Sreenivasa, S.; Palakshamurthy, B. S.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o199
• a: 14.5293 ± 0.0019 Å
• b: 10.6225 ± 0.0014 Å
• c: 9.6918 ± 0.0014 Å
• α: 90°
• β: 92.695 ± 0.005°
• γ: 90°
• Cell volume: 1494.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes