Information card for entry 2007511

Structure parameters

• Formula: C H2 N4 O
• Calculated formula: C H2 N4 O
• SMILES: C1(=O)NN=NN1
• Title of publication: 1<i>H</i>-Tetrazol-5(4<i>H</i>)-one
• Authors of publication: Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Matsunaga, Takehiro; Iida, Mitsuaki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1160 - 1162
• a: 5.4965 ± 0.0002 Å
• b: 5.4965 ± 0.0002 Å
• c: 11.137 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 336.47 ± 0.03 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes