Information card for entry 8107339

Structure parameters

• Formula: C14 H12 Br Cl N2 O
• Calculated formula: C14 H12 Br Cl N2 O
• Title of publication: The crystal structure of 1-(4-bromophenyl)-3-(2-chlorobenzyl)urea, C14H12BrClN2O
• Authors of publication: Zhu, Zhihong; Zhang, Lilei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 13 - 14
• a: 13.4072 ± 0.0006 Å
• b: 8.6103 ± 0.0005 Å
• c: 12.3824 ± 0.0006 Å
• α: 90°
• β: 100.475 ± 0.004°
• γ: 90°
• Cell volume: 1405.6 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.1042
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No