Information card for entry 2212709

Structure parameters

• Common name: 1-(2,6-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea
• Chemical name: 1-(2,6-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea
• Formula: C14 H8 Cl4 N2 O S
• Calculated formula: C14 H8 Cl4 N2 O S
• SMILES: S=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cc(Cl)c(Cl)cc1
• Title of publication: 1-(2,6-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea
• Authors of publication: Khawar Rauf, M.; Badshah, Amin; Bolte, Michael; Ahmad, Imtiaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1073 - o1075
• a: 6.9755 ± 0.0009 Å
• b: 11.0363 ± 0.0014 Å
• c: 11.0603 ± 0.0015 Å
• α: 101.72 ± 0.01°
• β: 94.826 ± 0.011°
• γ: 106.931 ± 0.01°
• Cell volume: 788.19 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes