Information card for entry 4103597

Structure parameters

• Common name: 2-hydroxy-5-Nitrotetrazole
• Chemical name: 5-nitro-2H-tetrazol-2-ol
• Formula: C H N5 O3
• Calculated formula: C H N5 O3
• SMILES: c1(nn(nn1)O)N(=O)=O
• Title of publication: Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction
• Authors of publication: Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17216 - 17226
• a: 7.9946 ± 0.0006 Å
• b: 9.1402 ± 0.0006 Å
• c: 6.2269 ± 0.0004 Å
• α: 90°
• β: 99.584 ± 0.006°
• γ: 90°
• Cell volume: 448.66 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No