Information card for entry 2232588

Structure parameters

• Chemical name: <i>N</i>-[7-Ethoxy-2-(prop-2-en-1-yl)-2<i>H</i>-indazol-6-yl]-4- methylbenzenesulfonamide
• Formula: C19 H21 N3 O3 S
• Calculated formula: C19 H21 N3 O3 S
• SMILES: c1cc(C)ccc1S(=O)(=O)Nc1c(c2c(cn(CC=C)n2)cc1)OCC
• Title of publication: <i>N</i>-[7-Ethoxy-2-(prop-2-en-1-yl)-2<i>H</i>-indazol-6-yl]-4-methylbenzenesulfonamide
• Authors of publication: Abbassi, Najat; Rakib, El Mostapha; Hannioui, Abdellah; Zouihri, Hafid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3211
• a: 10.1459 ± 0.0007 Å
• b: 9.9506 ± 0.0007 Å
• c: 18.372 ± 0.0013 Å
• α: 90°
• β: 95.097 ± 0.003°
• γ: 90°
• Cell volume: 1847.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101 kPa
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes