Information card for entry 2243671

Structure parameters

• Chemical name: 2,6-Dimethoxybenzic acid.
• Formula: C9 H10 O4
• Calculated formula: C9 H10 O4
• Title of publication: Crystal structure and Hirshfeld surface analysis of a third polymorph of 2,6-dimethoxybenzoic acid
• Authors of publication: Portalone, Gustavo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 12
• Pages of publication: 1823 - 1826
• a: 7.7574 ± 0.001 Å
• b: 8.4763 ± 0.001 Å
• c: 14.3322 ± 0.0019 Å
• α: 90°
• β: 97.526 ± 0.012°
• γ: 90°
• Cell volume: 934.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1073
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.710689 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes