Information card for entry 2224242

Structure parameters

• Chemical name: 3-Cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
• Formula: C9 H13 N O S2
• Calculated formula: C9 H13 N O S2
• SMILES: O=C1CSC(=S)N1C1CCCCC1
• Title of publication: 3-Cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Yasmeen, Asma; Ahmad, Naeem; Khan, Muhammad Akmal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3015
• a: 7.3897 ± 0.0003 Å
• b: 7.0999 ± 0.0004 Å
• c: 10.3399 ± 0.0005 Å
• α: 90°
• β: 107.535 ± 0.002°
• γ: 90°
• Cell volume: 517.29 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes