Information card for entry 8107458

Structure parameters

• Formula: C14 H11 Cl3 N2 O
• Calculated formula: C14 H11 Cl3 N2 O
• Title of publication: The crystal structure of 1-(2-chlorobenzyl)-3-(3,5-dichlorophenyl)urea, C14H11Cl3N2O
• Authors of publication: Li, Yingju; Yang, Zhimao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 421 - 423
• a: 8.36 ± 0.0004 Å
• b: 12.0085 ± 0.0008 Å
• c: 14.3665 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1442.27 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0944
• 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