Information card for entry 2208996

Structure parameters

• Common name: 1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Chemical name: 1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H12 Cl2 O2
• Calculated formula: C16 H12 Cl2 O2
• SMILES: Clc1cc(Cl)ccc1C(=O)/C=C/c1ccc(OC)cc1
• Title of publication: 1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash; Venkataraya Shettigar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1707 - o1709
• a: 12.8259 ± 0.0002 Å
• b: 3.8806 ± 0.0001 Å
• c: 27.7348 ± 0.0004 Å
• α: 90°
• β: 98.779 ± 0.001°
• γ: 90°
• Cell volume: 1364.25 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0439
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes