Information card for entry 2203512

Structure parameters

• Chemical name: N,N'-Bis(4-bromophenyl)urea
• Formula: C13 H10 Br2 N2 O
• Calculated formula: C13 H10 Br2 N2 O
• SMILES: O=C(Nc1ccc(cc1)Br)Nc1ccc(cc1)Br
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-bromophenyl)urea
• Authors of publication: Lin, Qi; Zhang, You-Ming; Wei, Tai-bao; Wang, Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o696 - o698
• a: 27.701 ± 0.012 Å
• b: 4.551 ± 0.002 Å
• c: 9.953 ± 0.004 Å
• α: 90°
• β: 95.418 ± 0.007°
• γ: 90°
• Cell volume: 1249.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes