Information card for entry 2217340

Structure parameters

• Common name: oxazole
• Chemical name: 2-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
• Formula: C12 H15 N O2
• Calculated formula: C12 H15 N O2
• SMILES: O1C(=NC(C1)(C)C)c1c(OC)cccc1
• Title of publication: 2-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
• Authors of publication: A. Thiruvalluvar; Ray J. Butcher; Prakash Karegoudar; B. Shivarama Holla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o61 - o61
• a: 8.1495 ± 0.0002 Å
• b: 10.9369 ± 0.0003 Å
• c: 12.0864 ± 0.0003 Å
• α: 90°
• β: 91.305 ± 0.003°
• γ: 90°
• Cell volume: 1076.98 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes