Information card for entry 2218145

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3- thiazolidin-4-one
• Formula: C18 H13 Cl2 N3 O2 S2
• Calculated formula: C18 H13 Cl2 N3 O2 S2
• SMILES: Clc1ccc(C2SCC(=O)N2c2sc(nn2)c2ccc(OC)cc2)c(Cl)c1
• Title of publication: 2-(2,4-Dichlorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-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: 5
• Pages of publication: o795
• a: 7.131 ± 0.0014 Å
• b: 8.154 ± 0.0016 Å
• c: 16.671 ± 0.003 Å
• α: 93.19 ± 0.03°
• β: 96.43 ± 0.03°
• γ: 105.89 ± 0.03°
• Cell volume: 922.7 ± 0.3 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: 0.1082
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes