Information card for entry 2019862

Structure parameters

• Chemical name: 2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one
• Formula: C15 H11 Cl2 N O S
• Calculated formula: C15 H11 Cl2 N O S
• SMILES: C1(c2ccc(cc2)Cl)N(c2ccc(cc2)Cl)C(=O)CS1
• Title of publication: Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide
• Authors of publication: Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: 264
• a: 8.019 ± 0.006 Å
• b: 9.562 ± 0.008 Å
• c: 9.984 ± 0.008 Å
• α: 88.937 ± 0.013°
• β: 76.254 ± 0.012°
• γ: 71.586 ± 0.013°
• Cell volume: 704.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes