Information card for entry 2238623

Structure parameters

• Chemical name: <i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate
• Formula: C34 H36 N6 O7 S2
• Calculated formula: C34 H36 N6 O7 S2
• Title of publication: <i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate
• Authors of publication: Chicha, Hakima; Rakib, El Mostapha; Geffken, Detlef; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1589 - o1590
• a: 8.2099 ± 0.0007 Å
• b: 13.8928 ± 0.0012 Å
• c: 15.0495 ± 0.0014 Å
• α: 90°
• β: 92.327 ± 0.003°
• γ: 90°
• Cell volume: 1715.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No