Information card for entry 2209041

Structure parameters

• Chemical name: 3-[5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one
• Formula: C17 H11 Cl2 N3 O S2
• Calculated formula: C17 H11 Cl2 N3 O S2
• SMILES: O=C1N(c2sc(nn2)c2ccc(Cl)cc2Cl)C(SC1)c1ccccc1
• Title of publication: 3-[5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylthiazolidin-4-one
• Authors of publication: Wu, Feng; Wan, Rong; Fan, Hong-Jing; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1930 - o1931
• a: 7.97 ± 0.0016 Å
• b: 6.155 ± 0.0012 Å
• c: 34.738 ± 0.007 Å
• α: 90°
• β: 90.2 ± 0.03°
• γ: 90°
• Cell volume: 1704.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes