Information card for entry 2236003

Structure parameters

• Chemical name: (<i>Z</i>)-3-(2-Hydroxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
• Formula: C11 H12 N2 O2 S
• Calculated formula: C11 H12 N2 O2 S
• SMILES: OCCN1C(=O)CS/C1=N\c1ccccc1
• Title of publication: (<i>Z</i>)-3-(2-Hydroxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
• Authors of publication: Mohamed, Shaaban K.; Abdelhamid, Antar A.; Younes, Sabry H. H.; Elremaily, Mahmoud A. A.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2371 - o2372
• a: 11.9612 ± 0.0006 Å
• b: 6.9478 ± 0.0003 Å
• c: 13.1554 ± 0.0006 Å
• α: 90°
• β: 91.244 ± 0.002°
• γ: 90°
• Cell volume: 1093.01 ± 0.09 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes