Information card for entry 2205111

Structure parameters

• Chemical name: 3-(p-Nitrobenzyl)-1,3-thiazolidine-2,4-dione
• Formula: C10 H8 N2 O4 S
• Calculated formula: C10 H8 N2 O4 S
• SMILES: N1(C(=O)SCC1=O)Cc1ccc(N(=O)=O)cc1
• Title of publication: 3-(<i>p</i>-Nitrobenzyl)-1,3-thiazolidine-2,4-dione
• Authors of publication: Yathirajan, Hemmige S.; Rai, Kuriya M. Lokanatha; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Prabhuswamy, Basappa; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o245 - o246
• a: 24.321 ± 0.003 Å
• b: 5.0468 ± 0.0005 Å
• c: 8.6066 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1056.4 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No