Information card for entry 2220819

Structure parameters

• Chemical name: 3-(3-Aminophenylsulfonyl)aniline
• Formula: C12 H12 N2 O2 S
• Calculated formula: C12 H12 N2 O2 S
• SMILES: S(=O)(=O)(c1cc(N)ccc1)c1cc(N)ccc1
• Title of publication: 3-(3-Aminophenylsulfonyl)aniline
• Authors of publication: Ghazisaeidi, Reza; Yousefi, Mohammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o222
• a: 8.6282 ± 0.0017 Å
• b: 8.8017 ± 0.0018 Å
• c: 16.052 ± 0.003 Å
• α: 90°
• β: 98.12 ± 0.03°
• γ: 90°
• Cell volume: 1206.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1069
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes