Information card for entry 2226668

Structure parameters

• Chemical name: <i>N</i>-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide
• Formula: C14 H16 N2 O2 S
• Calculated formula: C14 H16 N2 O2 S
• SMILES: S1C(=NC(=O)c2ccccc2)N(C(=O)C1)CCCC
• Title of publication: <i>N</i>-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide
• Authors of publication: Zhao, Hua-Rong; Wang, Hai-Yan; Meng, Xiang-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1803
• a: 5.469 ± 0.0001 Å
• b: 30.5591 ± 0.0008 Å
• c: 8.6032 ± 0.0002 Å
• α: 90°
• β: 99.895 ± 0.003°
• γ: 90°
• Cell volume: 1416.44 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes