Information card for entry 2019254

Structure parameters

• Chemical name: 6-Aminouracil dimethylacetamide monosolvate
• Formula: C8 H14 N4 O3
• Calculated formula: C8 H14 N4 O3
• Title of publication: Three new pseudopolymorphs of 6-aminouracil
• Authors of publication: Gerhardt, Valeska; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1402 - 1407
• a: 7.5434 ± 0.0006 Å
• b: 13.002 ± 0.0014 Å
• c: 10.513 ± 0.0009 Å
• α: 90°
• β: 92.728 ± 0.007°
• γ: 90°
• Cell volume: 1029.94 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No