Information card for entry 1573387

Structure parameters

• Chemical name: 1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-pyrazole
• Formula: C22 H17 Cl N2
• Calculated formula: C22 H17 Cl N2
• Title of publication: 1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole
• Authors of publication: Koch, Pierre; Schollmeyer, Dieter
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 12
• a: 8.8768 ± 0.0003 Å
• b: 18.3002 ± 0.0007 Å
• c: 10.5053 ± 0.0003 Å
• α: 90°
• β: 95.942 ± 0.003°
• γ: 90°
• Cell volume: 1697.39 ± 0.1 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No