Information card for entry 2019863

Structure parameters

• Chemical name: 2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide
• Formula: C15 H11 Cl2 N O2 S
• Calculated formula: C15 H11 Cl2 N O2 S
• SMILES: C1(c2ccc(cc2)Cl)N(c2ccc(cc2)Cl)C(=O)CS1=O
• 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: 7.1094 ± 0.0017 Å
• b: 20.94 ± 0.005 Å
• c: 20.94 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No