Information card for entry 4503033

Structure parameters

• Chemical name: (rac)-2-(2-methylphenoxy)propanoic acid
• Formula: C10 H12 O3
• Calculated formula: C10 H12 O3
• Title of publication: Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid
• Authors of publication: Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 612
• a: 11.0496 ± 0.0007 Å
• b: 11.087 ± 0.0007 Å
• c: 15.7565 ± 0.001 Å
• α: 83.308 ± 0.001°
• β: 82.956 ± 0.001°
• γ: 89.15 ± 0.001°
• Cell volume: 1902.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No