Information card for entry 8106360

Structure parameters

• Formula: C24 H21 Cl N4 O
• Calculated formula: C24 H21 Cl N4 O
• Title of publication: The crystal structure of 1-((5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-yl)methyl)-1,3-diphenylurea, C24H21ClN4O
• Authors of publication: Zhang, Xing-Tao; Wang, Hai-Chao; Wang, Teng; Liu, Chao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 953 - 954
• a: 10.263 ± 0.0011 Å
• b: 17.8954 ± 0.0016 Å
• c: 12.3517 ± 0.0014 Å
• α: 90°
• β: 102.51 ± 0.011°
• γ: 90°
• Cell volume: 2214.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No