Information card for entry 2210276

Structure parameters

• Chemical name: 3-{5-[3-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}- 2-phenylthiazolidin-4-one
• Formula: C18 H12 F3 N3 O S2
• Calculated formula: C18 H12 F3 N3 O S2
• SMILES: O=C1CSC(N1c1nnc(s1)c1cccc(c1)C(F)(F)F)c1ccccc1
• Title of publication: 2-Phenyl-3-{5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}thiazolidin-4-one
• Authors of publication: Wu, Feng; Wan, Rong; Han, Feng; Wang, Jin-tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4072 - o4074
• a: 7.537 ± 0.0015 Å
• b: 10.538 ± 0.002 Å
• c: 11.38 ± 0.002 Å
• α: 79.86 ± 0.03°
• β: 78.03 ± 0.03°
• γ: 84.7 ± 0.03°
• Cell volume: 868.9 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes