Information card for entry 2241296

Structure parameters

• Chemical name: (5<i>Z</i>)-5-(5-Bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
• Formula: C10 H6 Br N O3 S
• Calculated formula: C10 H6 Br N O3 S
• SMILES: Brc1ccc(O)c(c1)/C=C/1SC(=O)NC1=O
• Title of publication: Crystal structure of (5<i>Z</i>)-5-(5-bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o919 - o920
• a: 7.068 ± 0.0007 Å
• b: 7.677 ± 0.0008 Å
• c: 9.9977 ± 0.001 Å
• α: 68.119 ± 0.002°
• β: 86.049 ± 0.001°
• γ: 83.658 ± 0.001°
• Cell volume: 500.1 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes