Information card for entry 2238472

Structure parameters

• Chemical name: 1-Allyl-3-chloro-5-nitro-1<i>H</i>-indazole
• Formula: C10 H8 Cl N3 O2
• Calculated formula: C10 H8 Cl N3 O2
• SMILES: c1(c2cc(ccc2n(CC=C)n1)N(=O)=O)Cl
• Title of publication: 1-Allyl-3-chloro-5-nitro-1<i>H</i>-indazole
• Authors of publication: Chicha, Hakima; 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: 9
• Pages of publication: o1410
• a: 13.3025 ± 0.0006 Å
• b: 11.2505 ± 0.0005 Å
• c: 7.3092 ± 0.0003 Å
• α: 90°
• β: 91.343 ± 0.002°
• γ: 90°
• Cell volume: 1093.59 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes