Information card for entry 1546683

Structure parameters

• Chemical name: 3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole
• Formula: C9 H8 Cl N3 O2
• Calculated formula: C9 H8 Cl N3 O2
• SMILES: Clc1n(nc2c1ccc(N(=O)=O)c2)CC
• Title of publication: 3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole
• Authors of publication: Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170652
• a: 11.2363 ± 0.0007 Å
• b: 7.4063 ± 0.0005 Å
• c: 12.1247 ± 0.0008 Å
• α: 90°
• β: 111.051 ± 0.001°
• γ: 90°
• Cell volume: 941.67 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes