Information card for entry 2218262

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)urea
• Formula: C13 H10 Cl2 N2 O
• Calculated formula: C13 H10 Cl2 N2 O
• SMILES: O=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-chlorophenyl)urea
• Authors of publication: Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o922
• a: 27.093 ± 0.003 Å
• b: 4.5768 ± 0.0005 Å
• c: 9.901 ± 0.001 Å
• α: 90°
• β: 96.389 ± 0.002°
• γ: 90°
• Cell volume: 1220.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes