Information card for entry 1520179

Structure parameters

• Chemical name: N,N'-bis(4-Chlorophenyl)urea
• Formula: C13 H10 Cl2 N2 O
• Calculated formula: C13 H10 Cl2 N2 O
• SMILES: Clc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
• Title of publication: N,N'-bis(4-Chlorophenyl)urea
• Authors of publication: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 682
• a: 27.097 ± 0.006 Å
• b: 4.5781 ± 0.0007 Å
• c: 9.9007 ± 0.0019 Å
• α: 90°
• β: 96.281 ± 0.008°
• γ: 90°
• Cell volume: 1220.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No