Information card for entry 2018746

Structure parameters

• Chemical name: 6-Amino-2-thiouracil dimethylacetamide monosolvate
• Formula: C8 H14 N4 O2 S
• Calculated formula: C8 H14 N4 O2 S
• Title of publication: Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
• Authors of publication: Hützler, Wilhelm Maximilian; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 93 - 100
• a: 9.4615 ± 0.0009 Å
• b: 9.2679 ± 0.0011 Å
• c: 13.4208 ± 0.0012 Å
• α: 90°
• β: 101.801 ± 0.007°
• γ: 90°
• Cell volume: 1152 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes