Information card for entry 2241485

Structure parameters

• Chemical name: 1-(5-Amino-2<i>H</i>-tetrazol-2-yl)-2-methylpropan-2-ol
• Formula: C5 H11 N5 O
• Calculated formula: C5 H11 N5 O
• SMILES: OC(Cn1nc(N)nn1)(C)C
• Title of publication: Crystal structure of 1-(5-amino-2<i>H</i>-tetrazol-2-yl)-2-methylpropan-2-ol
• Authors of publication: Park, Hyun Sik; Ryu, Ji Yeon; Lee, Junseong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1057 - o1058
• a: 8.2472 ± 0.0019 Å
• b: 9.731 ± 0.002 Å
• c: 10.087 ± 0.002 Å
• α: 90.3 ± 0.01°
• β: 96.228 ± 0.01°
• γ: 96.259 ± 0.01°
• Cell volume: 799.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes