Information card for entry 2213990

Structure parameters

• Common name: trans-4, 5-dihydroxyimidazolidine-2-thione
• Chemical name: trans-4,5-Dihydroxyimidazolidine-2-thione
• Formula: C3 H6 N2 O2 S
• Calculated formula: C3 H6 N2 O2 S
• SMILES: S=C1N[C@H](O)[C@@H](O)N1.S=C1N[C@@H](O)[C@H](O)N1
• Title of publication: <i>trans</i>-4,5-Dihydroxyimidazolidine-2-thione
• Authors of publication: Zhen-Feng Zhang; Jin-Ming Zhang; Jian-Ping Guo; Gui-Rong Qu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2821 - o2823
• a: 5.8092 ± 0.0013 Å
• b: 6.5152 ± 0.0013 Å
• c: 7.9189 ± 0.0017 Å
• α: 98.595 ± 0.003°
• β: 106.74 ± 0.003°
• γ: 102.494 ± 0.003°
• Cell volume: 272.93 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes