Information card for entry 2244184

Structure parameters

• Common name: Monoglycidyl ether of isoeugenol
• Chemical name: 2-[2-Methoxy-4-(prop-1-en-1-yl)phenoxymethyl]oxirane
• Formula: C13 H16 O3
• Calculated formula: C13 H16 O3
• SMILES: O(c1cc(ccc1OCC1OC1)/C=C/C)C
• Title of publication: Crystal structure of the monoglycidyl ether of isoeugenol
• Authors of publication: Cattey, Hélène; Boni, Gilles; Pourchet, Sylvie; Plasseraud, Laurent
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• a: 4.5931 ± 0.0005 Å
• b: 8.9134 ± 0.0009 Å
• c: 15.0764 ± 0.0018 Å
• α: 74.808 ± 0.003°
• β: 85.309 ± 0.004°
• γ: 77.43 ± 0.003°
• Cell volume: 581.18 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes