Information card for entry 2230303

Structure parameters

• Common name: 1,2-Bis(<i>N</i>'-benzoylthioureido)-4-chlorobenzene
• Chemical name: 1-Benzoyl-3-[2-(<i>N</i>'-benzoylthioureido)-5-chlorophenyl]thiourea
• Formula: C22 H17 Cl N4 O2 S2
• Calculated formula: C22 H17 Cl N4 O2 S2
• SMILES: Clc1cc(NC(=S)NC(=O)c2ccccc2)c(NC(=S)NC(=O)c2ccccc2)cc1
• Title of publication: 1,2-Bis(<i>N</i>'-benzoylthioureido)-4-chlorobenzene
• Authors of publication: Yamin, Bohari M.; Osman, Uwaisulqarni M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1286
• a: 9.637 ± 0.004 Å
• b: 10.82 ± 0.004 Å
• c: 11.37 ± 0.004 Å
• α: 84.443 ± 0.008°
• β: 68.706 ± 0.008°
• γ: 86.551 ± 0.009°
• Cell volume: 1099 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes