Information card for entry 2238802

Structure parameters

• Chemical name: 2-Allyl-7-nitro-2<i>H</i>-indazole
• Formula: C10 H9 N3 O2
• Calculated formula: C10 H9 N3 O2
• SMILES: c12c(cccc1cn(CC=C)n2)N(=O)=O
• Title of publication: 2-Allyl-7-nitro-2<i>H</i>-indazole
• Authors of publication: Kouakou, Assoman; Rakib, El Mostapha; Spinelli, Domenico; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1603 - o1604
• a: 8.1848 ± 0.0003 Å
• b: 8.3253 ± 0.0004 Å
• c: 16.3194 ± 0.0006 Å
• α: 84.168 ± 0.002°
• β: 85.653 ± 0.002°
• γ: 60.843 ± 0.002°
• Cell volume: 965.64 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No