Information card for entry 2011163

Structure parameters

• Chemical name: N-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide
• Formula: C11 H12 Br N5 O2
• Calculated formula: C11 H12 Br N5 O2
• Title of publication: <i>N</i>-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide
• Authors of publication: Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Goswami, Shyamaprosad; Mukherjee, Reshmi; Adak, Avijit
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: e302 - e303
• a: 13.4315 ± 0.0001 Å
• b: 10.3779 ± 0.0002 Å
• c: 10.256 ± 0.0002 Å
• α: 90°
• β: 106.216 ± 0.001°
• γ: 90°
• Cell volume: 1372.72 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes