Information card for entry 2210353

Structure parameters

• Chemical name: 3-[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2- dimethylcyclopropanecarbonyl]thiazolidine-2-thione
• Formula: C12 H13 Cl F3 N O S2
• Calculated formula: C12 H13 Cl F3 N O S2
• SMILES: Cl/C(=C\[C@H]1C([C@H]1C(=O)N1C(=S)SCC1)(C)C)C(F)(F)F.Cl/C(=C\[C@@H]1C([C@@H]1C(=O)N1C(=S)SCC1)(C)C)C(F)(F)F
• Title of publication: 3-[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl]thiazolidine-2-thione
• Authors of publication: Na-Bo Sun; De-Long Shen; Jian-Quan Weng; Cheng-Xia Tan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3862 - o3863
• a: 14.667 ± 0.008 Å
• b: 9.585 ± 0.004 Å
• c: 11.774 ± 0.005 Å
• α: 90°
• β: 112.131 ± 0.018°
• γ: 90°
• Cell volume: 1533.3 ± 1.3 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes