Information card for entry 2231962

Structure parameters

• Chemical name: (<i>Z</i>)-Methyl 2-bromomethyl-3-(2-chlorophenyl)acrylate
• Formula: C11 H10 Br Cl O2
• Calculated formula: C11 H10 Br Cl O2
• SMILES: BrC/C(=C\c1c(Cl)cccc1)C(=O)OC
• Title of publication: (<i>Z</i>)-Methyl 2-bromomethyl-3-(2-chlorophenyl)acrylate
• Authors of publication: Madhanraj, R.; Vijayakumar, S.; Selvakumar, R.; Bakthadoss, M.; Murugavel, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2812
• a: 10.0657 ± 0.0007 Å
• b: 10.2174 ± 0.0007 Å
• c: 11.3598 ± 0.0007 Å
• α: 90°
• β: 97.649 ± 0.002°
• γ: 90°
• Cell volume: 1157.91 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes