Information card for entry 2229125

Structure parameters

• Chemical name: 2,5-Dichloro-<i>N</i>-(4-methoxyphenyl)benzensulfonamide
• Formula: C13 H11 Cl2 N O3 S
• Calculated formula: C13 H11 Cl2 N O3 S
• SMILES: S(=O)(=O)(c1c(ccc(c1)Cl)Cl)Nc1ccc(cc1)OC
• Title of publication: 2,5-Dichloro-<i>N</i>-(4-methoxyphenyl)benzensulfonamide
• Authors of publication: Khan, Islam Ullah; Bibi, Sajida; Mariam, Irfana; Sharif, Shahzad; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o369
• a: 13.1599 ± 0.0004 Å
• b: 7.8179 ± 0.0002 Å
• c: 14.483 ± 0.0005 Å
• α: 90°
• β: 110.566 ± 0.001°
• γ: 90°
• Cell volume: 1395.09 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes