Information card for entry 2209664

Structure parameters

• Common name: 1-(2,4-Dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Chemical name: 1-(2,4-Dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H14 Cl2 O3
• Calculated formula: C17 H14 Cl2 O3
• SMILES: Clc1cc(Cl)ccc1C(=O)/C=C/c1ccc(OC)c(OC)c1
• Title of publication: 1-(2,4-Dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Authors of publication: P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2596 - o2598
• a: 3.8479 ± 0.0002 Å
• b: 12.2341 ± 0.0006 Å
• c: 16.8454 ± 0.0007 Å
• α: 70.487 ± 0.003°
• β: 84.17 ± 0.004°
• γ: 86.707 ± 0.003°
• Cell volume: 743.36 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes