Information card for entry 2226887

Structure parameters

• Chemical name: 2-Bromo-2-methyl-<i>N</i>-(4-methyl-2-oxo-2<i>H</i>-chromen-7-yl)propanamide
• Formula: C14 H14 Br N O3
• Calculated formula: C14 H14 Br N O3
• SMILES: BrC(C(=O)Nc1ccc2c(cc(=O)oc2c1)C)(C)C
• Title of publication: 2-Bromo-2-methyl-<i>N</i>-(4-methyl-2-oxo-2<i>H</i>-chromen-7-yl)propanamide
• Authors of publication: Haridharan, N.; Ramkumar, V.; Dhamodharan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2007
• a: 6.7054 ± 0.0008 Å
• b: 9.2415 ± 0.0011 Å
• c: 11.7612 ± 0.0015 Å
• α: 105.255 ± 0.005°
• β: 100.63 ± 0.005°
• γ: 93.572 ± 0.005°
• Cell volume: 686.33 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes