Information card for entry 2234961

Structure parameters

• Chemical name: 2-(2-Bromophenyl)acetic acid
• Formula: C8 H7 Br O2
• Calculated formula: C8 H7 Br O2
• SMILES: Brc1c(cccc1)CC(=O)O
• Title of publication: 2-(2-Bromophenyl)acetic acid
• Authors of publication: Kant, Rajni; Kapoor, Kamini; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1704
• a: 8.9732 ± 0.0005 Å
• b: 5.9114 ± 0.0003 Å
• c: 15.8489 ± 0.0007 Å
• α: 90°
• β: 99.529 ± 0.005°
• γ: 90°
• Cell volume: 829.09 ± 0.07 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: 0.0583
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes