Information card for entry 2236984

Structure parameters

• Chemical name: 1-Allyl-6-nitro-1<i>H</i>-indazole
• Formula: C10 H9 N3 O2
• Calculated formula: C10 H9 N3 O2
• SMILES: c1(ccc2c(c1)n(CC=C)nc2)N(=O)=O
• Title of publication: 1-Allyl-6-nitro-1<i>H</i>-indazole
• Authors of publication: El Brahmi, Nabil; Benchidmi, Mohammed; Essassi, El Mokhtar; Ladeira, Sonia; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3368
• a: 4.363 ± 0.0016 Å
• b: 8.3245 ± 0.0007 Å
• c: 13.541 ± 0.005 Å
• α: 95.647 ± 0.002°
• β: 98.46 ± 0.02°
• γ: 97.77 ± 0.002°
• Cell volume: 478.5 ± 0.3 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: 0.0449
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes