Information card for entry 2019255

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: 7.12 ± 0.0007 Å
• b: 21.882 ± 0.003 Å
• c: 13.1561 ± 0.0014 Å
• α: 90°
• β: 92.908 ± 0.008°
• γ: 90°
• Cell volume: 2047.1 ± 0.4 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: 0.1236
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No