Information card for entry 2239466

Structure parameters

• Chemical name: <i>N</i>-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-\ methylbenzenesulfonamide
• Formula: C23 H22 N2 O2 S
• Calculated formula: C23 H22 N2 O2 S
• SMILES: S(=O)(=O)(N[C@@H]1C2c3ccccc3C(c3ccccc23)[C@@H]1N)c1ccc(cc1)C
• Title of publication: <i>N</i>-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide
• Authors of publication: Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o248 - o249
• a: 8.9362 ± 0.0002 Å
• b: 6.8766 ± 0.0002 Å
• c: 15.5039 ± 0.0004 Å
• α: 90°
• β: 91.54 ± 0.001°
• γ: 90°
• Cell volume: 952.38 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes