Information card for entry 2212116

Structure parameters

• Chemical name: N-(2,4-Dichlorophenoxyacetyl)-N'-(2,4,6-trichlorophenyl)thiourea
• Formula: C15 H9 Cl5 N2 O2 S
• Calculated formula: C15 H9 Cl5 N2 O2 S
• SMILES: S=C(NC(=O)COc1ccc(Cl)cc1Cl)Nc1c(Cl)cc(Cl)cc1Cl
• Title of publication: <i>N</i>-(2,4-Dichlorophenoxyacetyl)-<i>N</i>'-(2,4,6-trichlorophenyl)thiourea
• Authors of publication: Qian-Jin Li; Chun-Long Yang; Xue-Qun Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o773 - o774
• a: 7.958 ± 0.0011 Å
• b: 7.958 ± 0.0011 Å
• c: 29.249 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes