Information card for entry 1548843

Structure parameters

• Chemical name: 2-Benzyl-6-nitro-2<i>H</i>-indazole
• Formula: C14 H11 N3 O2
• Calculated formula: C14 H11 N3 O2
• SMILES: O=N(=O)c1cc2nn(cc2cc1)Cc1ccccc1
• Title of publication: 2-Benzyl-6-nitro-2<i>H</i>-indazole
• Authors of publication: Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x180151
• a: 4.489 ± 0.0019 Å
• b: 19.77 ± 0.008 Å
• c: 13.308 ± 0.006 Å
• α: 90°
• β: 93.608 ± 0.006°
• γ: 90°
• Cell volume: 1178.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes