Information card for entry 2239443

Structure parameters

• Chemical name: Ethyl 3-[7-(<i>N</i>-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2<i>H</i>-indazol-2-yl]propionate
• Formula: C21 H22 Cl N3 O6 S
• Calculated formula: C21 H22 Cl N3 O6 S
• SMILES: CCOC(=O)CCn1nc2c(c1Cl)cccc2N(S(=O)(=O)c1ccc(cc1)OC)C(=O)C
• Title of publication: Ethyl 3-[7-(<i>N</i>-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2<i>H</i>-indazol-2-yl]propionate
• Authors of publication: Kouakou, Assoman; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o307 - o308
• a: 9.1442 ± 0.0003 Å
• b: 9.4376 ± 0.0004 Å
• c: 14.0931 ± 0.0006 Å
• α: 108.262 ± 0.002°
• β: 96.017 ± 0.002°
• γ: 103.313 ± 0.002°
• Cell volume: 1103.13 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes