Information card for entry 2238264

Structure parameters

• Chemical name: 3-[(5-Chloro-2-hydroxybenzylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one
• Formula: C10 H7 Cl N2 O2 S2
• Calculated formula: C10 H7 Cl N2 O2 S2
• SMILES: Clc1ccc(c(c1)/C=N/N1C(=S)SCC1=O)O
• Title of publication: 3-[(5-Chloro-2-hydroxybenzylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one
• Authors of publication: Dal, Hakan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1128
• a: 9.8506 ± 0.0003 Å
• b: 10.0936 ± 0.0003 Å
• c: 12.1096 ± 0.0004 Å
• α: 90°
• β: 110.409 ± 0.002°
• γ: 90°
• Cell volume: 1128.45 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes