Information card for entry 2218597

Structure parameters

• Chemical name: 3-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)- 1,3-thiazolidin-4-one
• Formula: C18 H14 F N3 O2 S2
• Calculated formula: C18 H14 F N3 O2 S2
• SMILES: S1C(N(C(=O)C1)c1sc(nn1)c1ccc(F)cc1)c1ccc(OC)cc1
• Title of publication: 3-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
• Authors of publication: Yin, Li-He; Wan, Rong; Han, Feng; Wang, Bin; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1359
• a: 6.455 ± 0.0013 Å
• b: 8.92 ± 0.0018 Å
• c: 16.483 ± 0.003 Å
• α: 75.78 ± 0.03°
• β: 82.44 ± 0.03°
• γ: 71.11 ± 0.03°
• Cell volume: 869 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes