Information card for entry 2011476

Structure parameters

• Common name: 7-nitroindazole
• Formula: C7 H5 N3 O2
• Calculated formula: C7 H5 N3 O2
• SMILES: c1(cccc2cn[nH]c12)N(=O)=O
• Title of publication: 7-Nitroindazole
• Authors of publication: Ooms, Frédéric; Norberg, Bernadette; Isin, Emre M.; Castagnoli, Neal Jr; Van der Schyf, Cornelis J.; Wouters, Johan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e474 - e475
• a: 5.02 ± 0.001 Å
• b: 9.636 ± 0.001 Å
• c: 14.506 ± 0.001 Å
• α: 90°
• β: 98.232 ± 0.004°
• γ: 90°
• Cell volume: 694.46 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes