Information card for entry 2235043

Structure parameters

• Chemical name: (5<i>Z</i>)-5-(2-Hydroxybenzylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3- thiazolidin-4-one
• Formula: C17 H13 N O2 S2
• Calculated formula: C17 H13 N O2 S2
• SMILES: S1/C(C(=O)N(c2ccc(cc2)C)C1=S)=C\c1ccccc1O
• Title of publication: (5<i>Z</i>)-5-(2-Hydroxybenzylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Kashif, Misbah; Saeed, Afifa; Bukhari, Sana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1818
• a: 13.8258 ± 0.0006 Å
• b: 5.4278 ± 0.0003 Å
• c: 21.0715 ± 0.0009 Å
• α: 90°
• β: 101.857 ± 0.003°
• γ: 90°
• Cell volume: 1547.54 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1196
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes