Information card for entry 1520199

Structure parameters

• Chemical name: N-(4-methylphenyl)urea
• Formula: C8 H10 N2 O
• Calculated formula: C8 H10 N2 O
• SMILES: c1(ccc(cc1)C)NC(=O)N
• Title of publication: N-(4-methylphenyl)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: 538
• a: 4.6154 ± 0.0002 Å
• b: 5.3698 ± 0.0002 Å
• c: 31.2699 ± 0.0013 Å
• α: 90°
• β: 91.978 ± 0.002°
• γ: 90°
• Cell volume: 774.52 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No