Information card for entry 2240369

Structure parameters

• Chemical name: 1-(2-Aminophenyl)-3-phenylurea
• Formula: C13 H13 N3 O
• Calculated formula: C13 H13 N3 O
• SMILES: O=C(Nc1ccccc1)Nc1ccccc1N
• Title of publication: Crystal structure of 1-(2-aminophenyl)-3-phenylurea
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Omran, Omran A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o88 - o89
• a: 16.1742 ± 0.0004 Å
• b: 4.5667 ± 0.0001 Å
• c: 16.3259 ± 0.0004 Å
• α: 90°
• β: 106.548 ± 0.001°
• γ: 90°
• Cell volume: 1155.93 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes