Information card for entry 2215998

Structure parameters

• Chemical name: (Z)-5-(2-Chlorobenzylidene)thiazolidine-2,4-dione
• Formula: C10 H6 Cl N O2 S
• Calculated formula: C10 H6 Cl N O2 S
• SMILES: Clc1ccccc1/C=C1SC(=O)NC\1=O
• Title of publication: (<i>Z</i>)-5-(2-Chlorobenzylidene)thiazolidine-2,4-dione
• Authors of publication: Sun, Hong-shun; He, Wei; Xu, Ye-ming; Tang, Shi-gui; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4325 - o4325
• a: 7.268 ± 0.0008 Å
• b: 7.5916 ± 0.0011 Å
• c: 18.038 ± 0.002 Å
• α: 90°
• β: 91.25 ± 0.03°
• γ: 90°
• Cell volume: 995 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes