Information card for entry 2228604

Structure parameters

• Chemical name: 2-(4-hydroxyphenoxy)propanoic acid
• Formula: C9 H10 O4
• Calculated formula: C9 H10 O4
• SMILES: Oc1ccc(O[C@H](C)C(=O)O)cc1
• Title of publication: 2-(4-Hydroxyphenoxy)propanoic acid
• Authors of publication: Gu, Zhun; Jia, Hong-Sheng; Cheng, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3366
• a: 6.205 ± 0.001 Å
• b: 11.853 ± 0.002 Å
• c: 6.716 ± 0.001 Å
• α: 90°
• β: 114.78 ± 0.03°
• γ: 90°
• Cell volume: 448.47 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes