Information card for entry 2015801

Structure parameters

• Chemical name: 3-(2-fluorobenzyl)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
• Formula: C16 H13 F2 N O S
• Calculated formula: C16 H13 F2 N O S
• SMILES: Fc1ccccc1CN1C(=O)CSC1c1c(F)cccc1
• Title of publication: Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions
• Authors of publication: Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o102 - o107
• a: 13.9981 ± 0.0006 Å
• b: 10.1236 ± 0.0003 Å
• c: 10.1491 ± 0.0004 Å
• α: 90°
• β: 106.333 ± 0.002°
• γ: 90°
• Cell volume: 1380.2 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes