Information card for entry 2223569

Structure parameters

• Chemical name: 1-Allyl-3-chloro-6-nitro-1<i>H</i>-indazole
• Formula: C10 H8 Cl N3 O2
• Calculated formula: C10 H8 Cl N3 O2
• SMILES: Clc1nn(c2c1ccc(N(=O)=O)c2)CC=C
• Title of publication: 1-Allyl-3-chloro-6-nitro-1<i>H</i>-indazole
• Authors of publication: El Brahmi, Nabil; Mohamed, Benchidmi; Essassi, El Mokhtar; Zouihri, Hafid; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2320
• a: 7.6804 ± 0.0001 Å
• b: 9.9559 ± 0.0002 Å
• c: 28.4344 ± 0.0004 Å
• α: 90°
• β: 95.144 ± 0.001°
• γ: 90°
• Cell volume: 2165.49 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes