Information card for entry 2211603

Structure parameters

• Chemical name: 4-Amino-N-(2,3-dichlorophenyl)benzenesulfonamide
• Formula: C12 H10 Cl2 N2 O2 S
• Calculated formula: C12 H10 Cl2 N2 O2 S
• SMILES: S(=O)(=O)(Nc1c(Cl)c(Cl)ccc1)c1ccc(N)cc1
• Title of publication: 4-Amino-<i>N</i>-(2,3-dichlorophenyl)benzenesulfonamide
• Authors of publication: Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Strakhova, Nadezda N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5634 - o5636
• a: 7.47 ± 0.0008 Å
• b: 13.613 ± 0.001 Å
• c: 14.548 ± 0.001 Å
• α: 110.91 ± 0.01°
• β: 90.51 ± 0.01°
• γ: 102.42 ± 0.01°
• Cell volume: 1343.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes