Information card for entry 2214504

Structure parameters

• Chemical name: (2E)-3-(4-Chlorophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
• Formula: C15 H11 Cl O2
• Calculated formula: C15 H11 Cl O2
• SMILES: Clc1ccc(/C=C/C(=O)c2cc(O)ccc2)cc1
• Title of publication: (2<i>E</i>)-3-(4-Chlorophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Lakshmana, K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3661 - o3661
• a: 7.591 ± 0.0007 Å
• b: 10.8509 ± 0.0007 Å
• c: 15.1544 ± 0.0011 Å
• α: 90°
• β: 104.213 ± 0.008°
• γ: 90°
• Cell volume: 1210.05 ± 0.17 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 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: 0.0956
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes