Information card for entry 2202759

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenyl)-3-hydroxy-1-phenylpropan-1-one
• Formula: C15 H12 Cl2 O2
• Calculated formula: C15 H12 Cl2 O2
• SMILES: Clc1c(C(O)CC(=O)c2ccccc2)ccc(Cl)c1
• Title of publication: 3-(2,4-Dichlorophenyl)-3-hydroxy-1-phenylpropan-1-one
• Authors of publication: Zhifang Yu; Bing Zhao; Zhongzhen Tian; Xiuyan Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o2020 - o2021
• a: 9.967 ± 0.003 Å
• b: 15.042 ± 0.004 Å
• c: 10.271 ± 0.003 Å
• α: 90°
• β: 117.121 ± 0.004°
• γ: 90°
• Cell volume: 1370.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes