Information card for entry 8107097

Structure parameters

• Formula: C10 H19 N3 O3
• Calculated formula: C10 H19 N3 O3
• Title of publication: Crystal structure of diethylammonium 1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-ide, C10H19N3O3
• Authors of publication: Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Islam, Mohammad Shahidul; Shaik, Mohammed Rafi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1063 - 1064
• a: 4.4714 ± 0.0002 Å
• b: 17.869 ± 0.0007 Å
• c: 14.6323 ± 0.0006 Å
• α: 90°
• β: 95.272 ± 0.001°
• γ: 90°
• Cell volume: 1164.17 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No