Information card for entry 2233654

Structure parameters

• Chemical name: (2<i>E</i>)-1-(3,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C15 H10 Cl2 O2
• Calculated formula: C15 H10 Cl2 O2
• SMILES: Clc1cc(ccc1Cl)C(=O)/C=C/c1c(O)cccc1
• Title of publication: (2<i>E</i>)-1-(3,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Golen, James A.; Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o366
• a: 7.2551 ± 0.0006 Å
• b: 7.8351 ± 0.0007 Å
• c: 12.8049 ± 0.0011 Å
• α: 92.367 ± 0.007°
• β: 102.946 ± 0.008°
• γ: 109.011 ± 0.008°
• Cell volume: 665.51 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0587
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes