Information card for entry 2208723

Structure parameters

• Common name: 3-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
• Chemical name: 3-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H15 Br O3
• Calculated formula: C17 H15 Br O3
• SMILES: Brc1ccc(cc1)C(=O)/C=C/c1c(OC)ccc(OC)c1
• Title of publication: 1-(4-Bromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; S. M. Dharmaprakash; M. S. Karthikeyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1460 - o1462
• a: 34.1239 ± 0.0008 Å
• b: 4.6292 ± 0.0001 Å
• c: 19.0194 ± 0.0004 Å
• α: 90°
• β: 103.001 ± 0.002°
• γ: 90°
• Cell volume: 2927.41 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes