Information card for entry 2011668

Structure parameters

• Common name: 7-NI
• Chemical name: 7-Nitro-1H-indazole
• Formula: C7 H5 N3 O2
• Calculated formula: C7 H5 N3 O2
• SMILES: c12[nH]ncc1cccc2N(=O)=O
• Title of publication: 7-Nitro-1<i>H</i>-indazole, an inhibitor of nitric oxide synthase
• Authors of publication: Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1503 - 1504
• a: 5.0186 ± 0.0005 Å
• b: 9.6408 ± 0.0009 Å
• c: 14.5082 ± 0.0014 Å
• α: 90°
• β: 98.21 ± 0.01°
• γ: 90°
• Cell volume: 694.76 ± 0.12 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: 0.058
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes