Information card for entry 2228609

Structure parameters

• Chemical name: <i>N</i>-(3-Octyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide
• Formula: C18 H24 N2 O2 S
• Calculated formula: C18 H24 N2 O2 S
• SMILES: N1(C(=O)CSC1=NC(=O)c1ccccc1)CCCCCCCC
• Title of publication: <i>N</i>-(3-Octyl-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: 12
• Pages of publication: o3285
• a: 5.3342 ± 0.0003 Å
• b: 8.6196 ± 0.0005 Å
• c: 20.0775 ± 0.0012 Å
• α: 97.008 ± 0.005°
• β: 92.87 ± 0.004°
• γ: 99.477 ± 0.004°
• Cell volume: 901.41 ± 0.09 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: 0.073
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes