Information card for entry 2233751

Structure parameters

• Chemical name: Methyl (<i>Z</i>)-2-[(4-bromo-2-formylphenoxy)methyl]- 3-(4-methylphenyl)acrylate
• Formula: C19 H17 Br O4
• Calculated formula: C19 H17 Br O4
• SMILES: c1(cc(ccc1OC/C(=C\c1ccc(cc1)C)C(=O)OC)Br)C=O
• Title of publication: Methyl (<i>Z</i>)-2-[(4-bromo-2-formylphenoxy)methyl]-3-(4-methylphenyl)acrylate
• Authors of publication: Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o775
• a: 7.9262 ± 0.0004 Å
• b: 8.9078 ± 0.0005 Å
• c: 13.2331 ± 0.0006 Å
• α: 74.387 ± 0.003°
• β: 83.593 ± 0.002°
• γ: 75.77 ± 0.003°
• Cell volume: 871.2 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes