Information card for entry 2238442

Structure parameters

• Chemical name: <i>N</i>-(2-Allyl-4-chloro-2<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate
• Formula: C17 H17 Cl N3 O3.5 S
• Calculated formula: C17 H17 Cl N3 O3.5 S
• SMILES: C=CCn1nc2c(c1)c(Cl)c(cc2)NS(=O)(=O)c1ccc(cc1)OC.O
• Title of publication: <i>N</i>-(2-Allyl-4-chloro-2<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate
• Authors of publication: Chicha, Hakima; Kouakou, Assoman; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1353
• a: 23.5515 ± 0.0009 Å
• b: 8.9081 ± 0.0003 Å
• c: 20.8278 ± 0.0008 Å
• α: 90°
• β: 122.628 ± 0.002°
• γ: 90°
• Cell volume: 3680.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes