Information card for entry 2226630

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]- 1,3-thiazolidin-4-one
• Formula: C17 H11 F N4 O3 S2
• Calculated formula: C17 H11 F N4 O3 S2
• SMILES: S1C(N(C(=O)C1)c1sc(nn1)c1ccc(N(=O)=O)cc1)c1ccc(F)cc1
• Title of publication: 2-(4-Fluorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
• Authors of publication: Yu, Peng; An, Kang; He, Qiu; Zhang, Jian-Qaing; Wan, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1737
• a: 7.236 ± 0.0014 Å
• b: 9.134 ± 0.0018 Å
• c: 14.464 ± 0.003 Å
• α: 71.67 ± 0.02°
• β: 87.16 ± 0.03°
• γ: 75.69 ± 0.02°
• Cell volume: 878.9 ± 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: 0.1648
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes