Information card for entry 2213303

Structure parameters

• Chemical name: 3-(4-Bromophenyl)-2-methylacrylic acid
• Formula: C10 H9 Br O2
• Calculated formula: C10 H9 Br O2
• SMILES: Brc1ccc(cc1)/C=C(/C(=O)O)C
• Title of publication: 3-(4-Bromophenyl)-2-methylacrylic acid
• Authors of publication: Niaz Muhammad; Zia-ur-Rehman; Saqib Ali; Auke Meetsma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2174 - o2175
• a: 7.3202 ± 0.0011 Å
• b: 8.146 ± 0.0013 Å
• c: 9.0526 ± 0.0014 Å
• α: 114.431 ± 0.002°
• β: 107.444 ± 0.002°
• γ: 92.065 ± 0.002°
• Cell volume: 460.85 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0374
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes