Information card for entry 7055480

Structure parameters

• Formula: C18 H15 Cl N2 O2 S
• Calculated formula: C18 H15 Cl N2 O2 S
• SMILES: S(=O)(=O)(c1cc(N)c(Nc2ccccc2)cc1)c1ccc(Cl)cc1
• Title of publication: Electrochemical synthesis of 1-N-phenyl-4-(sulfonyl)benzene-1,2-diamine derivatives: a mild and regioselective protocol
• Authors of publication: Sharafi-Kolkeshvandi, Mahnaz; Nematollahi, Davood; Nikpour, Farzad; Salahifar, Eslam
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 5442
• a: 19.109 ± 0.004 Å
• b: 8.808 ± 0.0018 Å
• c: 20.086 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3380.7 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No