Information card for entry 2225023

Structure parameters

• Chemical name: <i>N</i>-Benzoyl-<i>N</i>'-phenylurea
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: O=C(Nc1ccccc1)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>'-phenylurea
• Authors of publication: Okuniewski, Andrzej; Chojnacki, Jaroslaw; Becker, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o414
• a: 15.5641 ± 0.0008 Å
• b: 4.6564 ± 0.0003 Å
• c: 21.1029 ± 0.0015 Å
• α: 90°
• β: 128.716 ± 0.004°
• γ: 90°
• Cell volume: 1193.31 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes