Information card for entry 8104962

Structure parameters

• Formula: C13 H9 Cl O2
• Calculated formula: C13 H9 Cl O2
• Title of publication: Crystal structure of (4-chlorophenyl)(4-hydroxyphenyl)methanone, C13H9ClO2
• Authors of publication: Bai, Xiao-Hui; Xing, Yan; Liu, Si-Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 65 - 66
• a: 6.5465 ± 0.0009 Å
• b: 8.0647 ± 0.0011 Å
• c: 10.8476 ± 0.0015 Å
• α: 90°
• β: 105.591 ± 0.003°
• γ: 90°
• Cell volume: 551.63 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No