Information card for entry 2205182

Structure parameters

• Chemical name: 1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C15 H11 Cl O2
• Calculated formula: C15 H11 Cl O2
• SMILES: Clc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1
• Title of publication: 1-(4-Chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: T. Ravishankar; K. Chinnakali; S. Nanjundan; P. Selvam; Hoong-Kun Fun; Xiao-Lan Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o405 - o407
• a: 4.0781 ± 0.0006 Å
• b: 16.344 ± 0.003 Å
• c: 18.664 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes