Information card for entry 2207995

Structure parameters

• Chemical name: 3-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one
• Formula: C17 H12 F N3 O S2
• Calculated formula: C17 H12 F N3 O S2
• SMILES: S1C(N(C(=O)C1)c1sc(nn1)c1ccc(F)cc1)c1ccccc1
• Title of publication: 3-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one
• Authors of publication: Wan, Rong; Wu, Feng; Yin, Jun; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o746 - o747
• a: 6.463 ± 0.0013 Å
• b: 10.911 ± 0.002 Å
• c: 11.371 ± 0.002 Å
• α: 97.91 ± 0.03°
• β: 94.37 ± 0.03°
• γ: 99.12 ± 0.03°
• Cell volume: 780.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes