Information card for entry 2204041

Structure parameters

• Chemical name: S-Phenyl 3-methanesulfonyl-2-oxoimidazolidine-1-carbothioate
• Formula: C11 H12 N2 O4 S2
• Calculated formula: C11 H12 N2 O4 S2
• SMILES: S(=O)(=O)(N1C(=O)N(CC1)C(=O)Sc1ccccc1)C
• Title of publication: S-Phenyl 3-methanesulfonyl-2-oxoimidazolidine-1-carbothioate
• Authors of publication: Yong-Shu Li; Xian-rui Liang; Wen Feng; Wei-Ke Su
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1378 - o1379
• a: 6.2189 ± 0.0002 Å
• b: 16.0064 ± 0.0006 Å
• c: 12.978 ± 0.0004 Å
• α: 90°
• β: 93.967 ± 0.001°
• γ: 90°
• Cell volume: 1288.76 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No