Information card for entry 1520178

Structure parameters

• Chemical name: N,N'-bis-Phenylurea
• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• SMILES: c1(ccccc1)NC(=O)Nc1ccccc1
• Title of publication: N,N'-bis-Phenylurea
• 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: 681
• a: 9.0662 ± 0.0003 Å
• b: 10.342 ± 0.0004 Å
• c: 11.738 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.59 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1075
• 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: No