Information card for entry 2018747

Structure parameters

• Chemical name: 6-Amino-2-thiouracil dimethylacetamide sesquisolvate
• Formula: C20 H37 N9 O5 S2
• Calculated formula: C20 H37 N9 O5 S2
• 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: 15.2133 ± 0.0007 Å
• b: 7.4335 ± 0.0013 Å
• c: 24.445 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2764.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes