Information card for entry 2234167

Structure parameters

• Chemical name: Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate
• Formula: C21 H25 N3 O6 S
• Calculated formula: C21 H25 N3 O6 S
• SMILES: S(=O)(=O)(Nc1c(OCC)c2nn(cc2cc1)CCC(=O)OCC)c1ccc(OC)cc1
• Title of publication: Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate
• Authors of publication: Abbassi, Najat; Oulemda, Bassou; Rakib, El Mostapha; Geffken, Detlef; Zouihri, Hafid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o931
• a: 9.1163 ± 0.0004 Å
• b: 10.9161 ± 0.0005 Å
• c: 11.2959 ± 0.0005 Å
• α: 77.259 ± 0.002°
• β: 77.364 ± 0.002°
• γ: 88.562 ± 0.002°
• Cell volume: 1069.55 ± 0.08 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: 0.0335
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes