Information card for entry 2206274

Structure parameters

• Chemical name: (Z)-1-(2,5-dichlorophenyl)-2-(3-phenylthiazolidin-2-ylidene)ethanone
• Formula: C17 H13 Cl2 N O S
• Calculated formula: C17 H13 Cl2 N O S
• SMILES: S1/C(N(CC1)c1ccccc1)=C\C(=O)c1c(Cl)ccc(Cl)c1
• Title of publication: (<i>Z</i>)-1-(2,5-Dichlorophenyl)-2-(3-phenylthiazolidin-2-ylidene)ethanone
• Authors of publication: Xu, Liang-Zhong; Yu, Guan-Ping; Zhang, Pu-Yong; Li, Chun-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2104 - o2105
• a: 26.088 ± 0.004 Å
• b: 37.204 ± 0.006 Å
• c: 6.5952 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6401.2 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes