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Information card for entry 2311283
Preview
| Coordinates | 2311283.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3-Acetoxy-2-methylbenzoic acid |
|---|---|
| Formula | C10 H10 O4 |
| Calculated formula | C10 H10 O4 |
| SMILES | OC(=O)c1c(c(OC(=O)C)ccc1)C |
| Title of publication | Crystal structure of 3-acet-oxy-2-methyl-benzoic acid. |
| Authors of publication | Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | Pt 7 |
| Pages of publication | o474 |
| a | 7.754 ± 0.002 Å |
| b | 11.346 ± 0.003 Å |
| c | 21.187 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1864 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1347 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245756 (current) | 2019-12-25 | cif/ Adding structures of 2311283 via cif-deposit CGI script. |
2311283.cif |
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