Information card for entry 2226217

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-fluorophenyl)urea
• Formula: C13 H10 F2 N2 O
• Calculated formula: C13 H10 F2 N2 O
• SMILES: O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)F
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-fluorophenyl)urea
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Sarveswari, S.; Vijayakumar, V.; Ragavan, R. Venkat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1319
• a: 67.541 ± 0.004 Å
• b: 4.575 ± 0.0003 Å
• c: 10.7098 ± 0.0006 Å
• α: 90°
• β: 95.969 ± 0.002°
• γ: 90°
• Cell volume: 3291.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0721
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes