Information card for entry 2239645

Structure parameters

• Common name: Vinclozolin
• Chemical name: 3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
• Formula: C12 H9 Cl2 N O3
• Calculated formula: C12 H9 Cl2 N O3
• SMILES: Clc1cc(N2C(=O)OC(C2=O)(C)C=C)cc(Cl)c1
• Title of publication: Vinclozolin: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
• Authors of publication: Cho, Seonghwa; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o754
• a: 15.0727 ± 0.0012 Å
• b: 5.2947 ± 0.0005 Å
• c: 15.539 ± 0.0012 Å
• α: 90°
• β: 100.916 ± 0.005°
• γ: 90°
• Cell volume: 1217.66 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes