Information card for entry 2210873

Structure parameters

• Chemical name: 5-Amino-1-(2-hydroxyethyl)pyrazole
• Formula: C5 H9 N3 O
• Calculated formula: C5 H9 N3 O
• SMILES: OCCn1nccc1N
• Title of publication: 5-Amino-1-(2-hydroxyethyl)-1<i>H</i>-pyrazole
• Authors of publication: Zhang, Li-Ming; He, Zhi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5108 - o5109
• a: 8.977 ± 0.002 Å
• b: 5.5467 ± 0.0014 Å
• c: 12.562 ± 0.003 Å
• α: 90°
• β: 97.774 ± 0.004°
• γ: 90°
• Cell volume: 619.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes