Information card for entry 8103248

Structure parameters

• Formula: C7 H9 N3 O3
• Calculated formula: C7 H9 N3 O3
• SMILES: O(n1c(ncc1)C(=O)/C=N/OC)C
• Title of publication: Crystal structure of (E)-2-(1-methoxyimidazol-2-yl)-2-oxoacetaldehyde O-methyl oxime, C7H9N3O3
• Authors of publication: Gerhard Laus; Volker Kahlenberg; Wolfgang Reischl; Herwig Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 623
• a: 17.3539 ± 0.0004 Å
• b: 4.02431 ± 0.0001 Å
• c: 12.3842 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 864.88 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No