Information card for entry 2013974

Structure parameters

• Chemical name: 2,4-dimethoxybenzoic acid
• Formula: C9 H10 O4
• Calculated formula: C9 H10 O4
• SMILES: O=C(O)c1c(OC)cc(OC)cc1
• Title of publication: 2,4-Dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid
• Authors of publication: Barich, Dewey H.; Zell, Mark T.; Powell, Douglas R.; Munson, Eric J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o261 - o262
• a: 6.7602 ± 0.0013 Å
• b: 7.7124 ± 0.0015 Å
• c: 8.0237 ± 0.0015 Å
• α: 94.995 ± 0.004°
• β: 95.894 ± 0.004°
• γ: 96.759 ± 0.004°
• Cell volume: 411.14 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes