Information card for entry 2216134

Structure parameters

• Chemical name: (Z)-5-(3-Nitrobenzylidene)-1,3-thiazolidine-2,4-dione
• Formula: C10 H6 N2 O4 S
• Calculated formula: C10 H6 N2 O4 S
• SMILES: S1\C(=C/c2cccc(N(=O)=O)c2)C(=O)NC1=O
• Title of publication: (<i>Z</i>)-5-(3-Nitrobenzylidene)-1,3-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: o4425 - o4425
• a: 4.727 ± 0.0009 Å
• b: 10.936 ± 0.002 Å
• c: 11.276 ± 0.002 Å
• α: 117.41 ± 0.03°
• β: 97.93 ± 0.03°
• γ: 93.36 ± 0.03°
• Cell volume: 507.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes