Information card for entry 2242664

Structure parameters

• Chemical name: 3-(4-Chlorophenyl)-2-trichloromethyl-1,3-thiazolidin-4-one
• Formula: C10 H7 Cl4 N O S
• Calculated formula: C10 H7 Cl4 N O S
• SMILES: S1C(N(c2ccc(Cl)cc2)C(=O)C1)C(Cl)(Cl)Cl
• Title of publication: Crystal structures of two thiazolidinone derivatives bearing a trichloromethyl substituent at the 2-position
• Authors of publication: Nuriye, Ahmed; Yennawar, Hemant; Cannon, Kevin; Tierney, John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1509 - 1512
• a: 10.907 ± 0.002 Å
• b: 6.1686 ± 0.0012 Å
• c: 19.885 ± 0.004 Å
• α: 90°
• β: 96.02 ± 0.03°
• γ: 90°
• Cell volume: 1330.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No