Information card for entry 1508496

Structure parameters

• Formula: C3 H4 N2 O
• Calculated formula: C3 H4 N2 O
• SMILES: On1cncc1
• Title of publication: Crystal Structures of 1-Hydroxyimidazole and Its Salts
• Authors of publication: Laus, Gerhard; Kahlenberg, Volker
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 1492 - 1501
• a: 5.1024 ± 0.0003 Å
• b: 8.2922 ± 0.0005 Å
• c: 9.3064 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 393.75 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No