Information card for entry 2210357

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]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(OC)cc1)c1ccc(F)cc1
• Title of publication: 2-(4-Fluorophenyl)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiazolidin-4-one
• Authors of publication: Wan, Rong; Wu, Feng; Han, Feng; Guan, Jian-Ling; Zhang, Jin-Jun; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3984 - o3985
• a: 17.75 ± 0.004 Å
• b: 6.372 ± 0.0013 Å
• c: 31.761 ± 0.006 Å
• α: 90°
• β: 101.55 ± 0.03°
• γ: 90°
• Cell volume: 3519.5 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes