Information card for entry 2213471

Structure parameters

• Common name: 2-(3,4-Dichlorophenoxy)propionic acid
• Chemical name: 2-(3,4-Dichlorophenoxy)propionic acid
• Formula: C9 H8 Cl2 O3
• Calculated formula: C9 H8 Cl2 O3
• SMILES: C(C(=O)O)(Oc1cc(c(cc1)Cl)Cl)C
• Title of publication: 2-(3,4-Dichlorophenoxy)propionic acid
• Authors of publication: Akhtar, Tashfeen; Rauf, M. Khawar; Ebihara, Masahiro; Hameed, Shahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2590 - o2592
• a: 4.585 ± 0.005 Å
• b: 6.412 ± 0.008 Å
• c: 33.21 ± 0.04 Å
• α: 90°
• β: 90.471 ± 0.014°
• γ: 90°
• Cell volume: 976 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes