Information card for entry 2214277

Structure parameters

• Chemical name: (2,5-Dichloro-4-hydroxyphenyl)(phenyl)methanone
• Formula: C13 H8 Cl2 O2
• Calculated formula: C13 H8 Cl2 O2
• SMILES: Clc1cc(O)c(Cl)cc1C(=O)c1ccccc1
• Title of publication: (2,5-Dichloro-4-hydroxyphenyl)(phenyl)methanone
• Authors of publication: Hoong-Kun Fun; Shea-Lin Ng; Zhe Li; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3121 - o3121
• a: 7.845 ± 0.0002 Å
• b: 12.1815 ± 0.0003 Å
• c: 12.9442 ± 0.0003 Å
• α: 73.087 ± 0.001°
• β: 80.468 ± 0.001°
• γ: 77.869 ± 0.001°
• Cell volume: 1149.83 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes