Information card for entry 2229836

Structure parameters

• Chemical name: (2<i>E</i>)-3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C15 H11 Cl O2
• Calculated formula: C15 H11 Cl O2
• SMILES: Clc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1
• Title of publication: (2<i>E</i>)-3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Sarojini, B.K.; Musthafa Khaleel, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o756
• a: 7.357 ± 0.0002 Å
• b: 15.645 ± 0.0005 Å
• c: 10.4954 ± 0.0003 Å
• α: 90°
• β: 90.518 ± 0.003°
• γ: 90°
• Cell volume: 1207.97 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes