Information card for entry 2210920

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin- 4-one
• Formula: C18 H14 Cl N3 O2 S2
• Calculated formula: C18 H14 Cl N3 O2 S2
• SMILES: Clc1ccc(C2SCC(=O)N2c2sc(nn2)c2ccc(OC)cc2)cc1
• Title of publication: 2-(4-Chlorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin-4-one
• Authors of publication: Wan, Rong; Guan, Jianning; Han, Feng; Wu, Feng; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5274 - o5275
• a: 6.438 ± 0.0013 Å
• b: 31.803 ± 0.006 Å
• c: 9.265 ± 0.0019 Å
• α: 90°
• β: 109.08 ± 0.03°
• γ: 90°
• Cell volume: 1792.8 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1372
• 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