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Information card for entry 2243671
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| Coordinates | 2243671.cif |
|---|---|
| Structure factors | 2243671.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259029 (current) | 2020-11-07 | cif/ hkl/ Adding structures of 2243671 via cif-deposit CGI script. |
2243671.cif 2243671.hkl |
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