Information card for entry 2202485

Structure parameters

• Common name: Thiazolidin-4-one
• Chemical name: 2-(4-Chlorophenyl)-3-cyclohexylthiazolidin-4-one
• Formula: C15 H18 Cl N O S
• Calculated formula: C15 H18 Cl N O S
• SMILES: S1C(N(C(=O)C1)C1CCCCC1)c1ccc(cc1)Cl
• Title of publication: 2-(4-Chlorophenyl)-3-cyclohexylthiazolidin-4-one
• Authors of publication: Sharon, Ashoke; Srivastava, Tumul; Katti, B. S.; Maulik, Prakas R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1239 - o1240
• a: 17.6 ± 0.001 Å
• b: 9.775 ± 0.001 Å
• c: 17.089 ± 0.001 Å
• α: 90°
• β: 97.33 ± 0.01°
• γ: 90°
• Cell volume: 2916 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes