Information card for entry 2214905

Structure parameters

• Chemical name: (2,3-Dimethylphenoxy)acetic acid
• Formula: C10 H12 O3
• Calculated formula: C10 H12 O3
• SMILES: O(c1c(C)c(C)ccc1)CC(=O)O
• Title of publication: (2,3-Dimethylphenoxy)acetic acid
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Swamy, M. T.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3472 - o3472
• a: 6.7609 ± 0.0006 Å
• b: 6.8452 ± 0.0006 Å
• c: 10.783 ± 0.001 Å
• α: 72.549 ± 0.001°
• β: 81.202 ± 0.001°
• γ: 67.756 ± 0.001°
• Cell volume: 440.2 ± 0.07 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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: 0.0415
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes