Information card for entry 2227669

Structure parameters

• Chemical name: 1-Acetyl-5-isobutyl-2-sulfanylideneimidazolidin-4-one
• Formula: C9 H14 N2 O2 S
• Calculated formula: C9 H14 N2 O2 S
• SMILES: CC(CC1C(=O)NC(=S)N1C(=O)C)C
• Title of publication: 1-Acetyl-5-isobutyl-2-sulfanylideneimidazolidin-4-one
• Authors of publication: Li, Kaozhen; Feng, Qiu; Lu, Ze-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2655
• a: 7.1856 ± 0.0008 Å
• b: 9.7567 ± 0.0011 Å
• c: 16.4226 ± 0.0015 Å
• α: 101.231 ± 0.002°
• β: 93.965 ± 0.001°
• γ: 90.491 ± 0.001°
• Cell volume: 1126.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes