Information card for entry 2225887

Structure parameters

• Chemical name: (2<i>E</i>)-3-(4-Bromophenyl)-1-(2-methyl-4-phenyl-3-quinolyl)prop-2-en-1-one
• Formula: C25 H18 Br N O
• Calculated formula: C25 H18 Br N O
• SMILES: Brc1ccc(/C=C/C(=O)c2c(c3c(nc2C)cccc3)c2ccccc2)cc1
• Title of publication: (2<i>E</i>)-3-(4-Bromophenyl)-1-(2-methyl-4-phenyl-3-quinolyl)prop-2-en-1-one
• Authors of publication: Prasath, R.; Sarveswari, S.; Vijayakumar, V.; Narasimhamurthy, T.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1110
• a: 6.6407 ± 0.0003 Å
• b: 10.0395 ± 0.0004 Å
• c: 15.5193 ± 0.0006 Å
• α: 92.192 ± 0.002°
• β: 95.234 ± 0.002°
• γ: 105.869 ± 0.002°
• Cell volume: 988.92 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes