Information card for entry 2233210

Structure parameters

• Chemical name: 2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol
• Formula: C18 H20 Br N O3
• Calculated formula: C18 H20 Br N O3
• SMILES: Brc1cc([C@@H]2O[C@@H](c3ccccc3)[C@@H](N2C)C)cc(OC)c1O
• Title of publication: 2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol
• Authors of publication: Hariono, Maywan; Ngah, Nurziana; Wahab, Habibah A.; Abdul Rahim, Aisyah Saad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o35 - o36
• a: 7.8056 ± 0.0004 Å
• b: 11.9034 ± 0.0006 Å
• c: 18.9109 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1757.07 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes