Information card for entry 2212282

Structure parameters

• Chemical name: (2E)-1-(2,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C15 H10 Cl2 O2
• Calculated formula: C15 H10 Cl2 O2
• SMILES: Clc1c(C(=O)/C=C/c2c(O)cccc2)ccc(Cl)c1
• Title of publication: (2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Yathirajan, H. S.; Mayekar, A. N.; Sarojini, B. K.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o426 - o427
• a: 14.5702 ± 0.0005 Å
• b: 8.8146 ± 0.0004 Å
• c: 20.6699 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2654.65 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes