Information card for entry 2209283

Structure parameters

• Chemical name: 3-[5-(3,5-Dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4- methoxyphenyl)thiazolidin-4-one
• Formula: C20 H19 N3 O2 S2
• Calculated formula: C20 H19 N3 O2 S2
• SMILES: S1C(N(C(=O)C1)c1sc(nn1)c1cc(cc(c1)C)C)c1ccc(OC)cc1
• Title of publication: 3-[5-(3,5-Dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)thiazolidin-4-one
• Authors of publication: Wan, Rong; Wu, Feng; Cao, Lin; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2115 - o2116
• a: 13.892 ± 0.003 Å
• b: 7.256 ± 0.0015 Å
• c: 18.912 ± 0.004 Å
• α: 90°
• β: 95.86 ± 0.03°
• γ: 90°
• Cell volume: 1896.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No