Information card for entry 1546632

Structure parameters

• Chemical name: 4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate
• Formula: C15 H16 N3 O3.5 S
• Calculated formula: C15 H16 N3 O3.5 S
• SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc2c1n(C)nc2.O
• Title of publication: 4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate
• Authors of publication: Bouissane, Latifa; Mojahidi, Souad; Rakib, El Mostapha; Chicha, Hakima; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170645
• a: 8.3013 ± 0.0005 Å
• b: 13.1934 ± 0.0008 Å
• c: 15.3583 ± 0.0009 Å
• α: 103.241 ± 0.003°
• β: 105.47 ± 0.003°
• γ: 93.046 ± 0.003°
• Cell volume: 1566.3 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1258
• 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: No
• Has Fobs: Yes