Information card for entry 1543621

Structure parameters

• Chemical name: Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate
• Formula: C11 H11 N3 O4
• Calculated formula: C11 H11 N3 O4
• SMILES: c12cc(ccc1cn(CC(=O)OCC)n2)N(=O)=O
• Title of publication: Ethyl 2-(6-nitro-2<i>H</i>-indazol-2-yl)acetate
• Authors of publication: Rejouani, Fatima-Zahra; Mojahidi, Souad; Rakib, El Mostapha; Mdeghri Alaoui, Abdelouahed; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161074
• a: 31.808 ± 0.003 Å
• b: 4.6312 ± 0.0004 Å
• c: 19.0381 ± 0.0016 Å
• α: 90°
• β: 122.839 ± 0.003°
• γ: 90°
• Cell volume: 2356.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes