Information card for entry 2205184

Structure parameters

• Chemical name: 1-(4-Bromophenyl)-3-(3-hydroxyphenyl)prop-2-ene-1-one
• Formula: C15 H11 Br O2
• Calculated formula: C15 H11 Br O2
• SMILES: Brc1ccc(C(=O)/C=C/c2cc(O)ccc2)cc1
• Title of publication: 1-(4-Bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; C. Sreekuttan Unnithan; Hoong-Kun Fun; Xiao-Lan Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o483 - o485
• a: 11.7495 ± 0.0013 Å
• b: 5.4876 ± 0.0006 Å
• c: 20.165 ± 0.002 Å
• α: 90°
• β: 95.918 ± 0.002°
• γ: 90°
• Cell volume: 1293.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes