Information card for entry 2217264

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenyl)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2- yl]thiazolidin-4-one
• Formula: C19 H15 Cl2 N3 O S2
• Calculated formula: C19 H15 Cl2 N3 O S2
• SMILES: Clc1ccc(C2SCC(=O)N2c2sc(nn2)c2cc(C)cc(c2)C)c(Cl)c1
• Title of publication: 2-(2,4-Dichlorophenyl)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin-4-one
• Authors of publication: Wan, Rong; Yin, Li-he; Han, Feng; Wang, Bin; Wang, Jin-tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o260 - o260
• a: 8.176 ± 0.0016 Å
• b: 9.165 ± 0.0018 Å
• c: 14.483 ± 0.003 Å
• α: 80.6 ± 0.03°
• β: 80.82 ± 0.03°
• γ: 63.92 ± 0.03°
• Cell volume: 956.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes