Information card for entry 2018215

Structure parameters

• Common name: 2,5-dimethoxyterephthalic acid
• Chemical name: 2,5-dimethoxyterephthalic acid
• Formula: C10 H10 O6
• Calculated formula: C10 H10 O6
• SMILES: COc1cc(C(=O)O)c(cc1C(=O)O)OC
• Title of publication: Little change but great effect: varying supramolecular interactions in 2,5-dimethoxyterephthalic acid and 2,5-diethoxyterephthalic acid
• Authors of publication: Böhle, Tony; Eissmann, Frank; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o350 - o353
• a: 11.6424 ± 0.0003 Å
• b: 10.7368 ± 0.0003 Å
• c: 7.6554 ± 0.0002 Å
• α: 90°
• β: 93.804 ± 0.002°
• γ: 90°
• Cell volume: 954.83 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes