Information card for entry 2239536

Structure parameters

• Chemical name: <i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide
• Formula: C19 H20 Cl N3 O3 S
• Calculated formula: C19 H20 Cl N3 O3 S
• SMILES: C=CCn1nc(c2c1ccc(c2OCC)NS(=O)(=O)c1ccc(cc1)C)Cl
• Title of publication: <i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide
• Authors of publication: Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o653
• a: 10.0345 ± 0.0002 Å
• b: 10.5208 ± 0.0002 Å
• c: 10.7237 ± 0.0002 Å
• α: 71.561 ± 0.001°
• β: 69.601 ± 0.001°
• γ: 83.039 ± 0.001°
• Cell volume: 1006.56 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes