Information card for entry 2234568

Structure parameters

• Chemical name: 2-(5-Amino-2<i>H</i>-tetrazol-2-yl)acetic acid
• Formula: C3 H5 N5 O2
• Calculated formula: C3 H5 N5 O2
• SMILES: OC(=O)Cn1nnc(n1)N
• Title of publication: 2-(5-Amino-2<i>H</i>-tetrazol-2-yl)acetic acid
• Authors of publication: Zhang, Guo-Chun; Qiao, Cheng-Fang; Zhou, Chun-Sheng; Xia, Zheng-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1330
• a: 18.381 ± 0.004 Å
• b: 4.4429 ± 0.0009 Å
• c: 14.846 ± 0.003 Å
• α: 90°
• β: 90.85 ± 0.003°
• γ: 90°
• Cell volume: 1212.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes