Information card for entry 2229985

Structure parameters

• Chemical name: 3-[2-(6-Bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin- 3-yl)ethyl]-1,3-oxazolidin-2-one
• Formula: C17 H15 Br N4 O2
• Calculated formula: C17 H15 Br N4 O2
• SMILES: Brc1cnc2n(c(nc2c1)c1ccccc1)CCN1C(=O)OCC1
• Title of publication: 3-[2-(6-Bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)ethyl]-1,3-oxazolidin-2-one
• Authors of publication: Ouzidan, Younes; Jasinski, Jerry P.; Butcher, Raymond J.; Golen, James A.; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1095
• a: 11.3553 ± 0.0006 Å
• b: 11.5915 ± 0.0005 Å
• c: 12.2542 ± 0.0008 Å
• α: 90°
• β: 98.685 ± 0.006°
• γ: 90°
• Cell volume: 1594.46 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes