Information card for entry 2202395

Structure parameters

• Chemical name: Methyl 6-bromo-2,3-dihydro-2-methylimidazo[2,1-b]oxazole-5-carboxylate
• Formula: C8 H9 Br N2 O3
• Calculated formula: C8 H9 Br N2 O3
• SMILES: Brc1c(C(=O)OC)n2c(n1)OC(C)C2
• Title of publication: Methyl 6-bromo-2,3-dihydro-2-methylimidazo[2,1-<i>b</i>]oxazole-5-carboxylate
• Authors of publication: Kraus, George A.; Choudhury, Prabir K.; Ellern, Arkady
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1735 - o1737
• a: 7.1338 ± 0.0013 Å
• b: 13.981 ± 0.003 Å
• c: 9.467 ± 0.0015 Å
• α: 90°
• β: 90.614 ± 0.005°
• γ: 90°
• Cell volume: 944.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes