Information card for entry 2239915

Structure parameters

• Chemical name: <i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-\ methoxybenzenesulfonamide
• Formula: C19 H20 Cl N3 O4 S
• Calculated formula: C19 H20 Cl N3 O4 S
• SMILES: C=CCn1c2c(c(n1)Cl)c(c(cc2)NS(=O)(=O)c1ccc(cc1)OC)OCC
• Title of publication: Crystal structure of <i>N</i>-(1-allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide
• 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: 9
• Pages of publication: o1029 - o1030
• a: 8.2699 ± 0.0007 Å
• b: 13.1235 ± 0.0012 Å
• c: 10.0026 ± 0.0009 Å
• α: 90°
• β: 110.379 ± 0.005°
• γ: 90°
• Cell volume: 1017.64 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes