Information card for entry 2211329

Structure parameters

• Common name: thiazolidinones
• Chemical name: 2-(2,6-Dichlorophenyl)-3-(quinolin-2-yl)thiazolidin-4-one
• Formula: C18 H12 Cl2 N2 O S
• Calculated formula: C18 H12 Cl2 N2 O S
• SMILES: c1(ccc2ccccc2n1)N1C(=O)CSC1c1c(cccc1Cl)Cl
• Title of publication: 2-(2,6-Dichlorophenyl)-3-(quinolin-2-yl)thiazolidin-4-one
• Authors of publication: Raghunandan, Resmi; Rawal, Ravindra K.; Katti, S. B.; Maulik, Prakas R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5349 - o5351
• a: 13.794 ± 0.001 Å
• b: 7.868 ± 0.001 Å
• c: 16.299 ± 0.002 Å
• α: 90°
• β: 111.36 ± 0.01°
• γ: 90°
• Cell volume: 1647.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes