Information card for entry 2221521

Structure parameters

• Chemical name: <i>N</i>-[6-(Dibromomethyl)-2-pyridyl]-2,2-dimethylpropionamide
• Formula: C11 H14 Br2 N2 O
• Calculated formula: C11 H14 Br2 N2 O
• SMILES: BrC(Br)c1nc(NC(=O)C(C)(C)C)ccc1
• Title of publication: <i>N</i>-[6-(Dibromomethyl)-2-pyridyl]-2,2-dimethylpropionamide
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Maity, Annada C.; Chakrabarty, Rinku; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o725
• a: 13.2936 ± 0.0007 Å
• b: 8.466 ± 0.0003 Å
• c: 11.9638 ± 0.0006 Å
• α: 90°
• β: 99.195 ± 0.003°
• γ: 90°
• Cell volume: 1329.15 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.074
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes