Information card for entry 2213465

Structure parameters

• Common name: 1-(2,6-Dichlorobenzoyl)-3-(2-methoxyphenyl)thiourea
• Chemical name: 1-(2,6-Dichlorobenzoyl)-3-(2-methoxyphenyl)thiourea
• Formula: C15 H12 Cl2 N2 O2 S
• Calculated formula: C15 H12 Cl2 N2 O2 S
• SMILES: S=C(Nc1c(cccc1)OC)NC(=O)c1c(Cl)cccc1Cl
• Title of publication: 1-(2,6-Dichlorobenzoyl)-3-(2-methoxyphenyl)thiourea
• Authors of publication: Rauf, M. Khawar; Badshah, Amin; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2665 - o2666
• a: 7.3748 ± 0.0009 Å
• b: 10.1854 ± 0.0013 Å
• c: 11.8404 ± 0.0014 Å
• α: 70.055 ± 0.009°
• β: 82.438 ± 0.011°
• γ: 74.299 ± 0.01°
• Cell volume: 804.1 ± 0.18 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: 0.0361
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes