Information card for entry 2016537

Structure parameters

• Chemical name: 2,4-dimethylbenzoic acid
• Formula: C9 H10 O2
• Calculated formula: C9 H10 O2
• Title of publication: Conformation of hydrogen-bonded dimeric <i>o</i>-methyl-substituted benzoic acids
• Authors of publication: Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o208 - o210
• a: 5.4656 ± 0.0012 Å
• b: 13.66 ± 0.002 Å
• c: 10.6755 ± 0.0019 Å
• α: 90°
• β: 99.182 ± 0.016°
• γ: 90°
• Cell volume: 786.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes