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Information card for entry 1562967
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| Coordinates | 1562967.cif |
|---|---|
| Structure factors | 1562967.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate |
|---|---|
| Formula | C14 H13 Cl N2 O2 |
| Calculated formula | C14 H13 Cl N2 O2 |
| SMILES | Clc1c(c(Nc2ncccc2C(=O)OC)ccc1)C |
| Title of publication | Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate |
| Authors of publication | Yang, Xing; Long, Sihui |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | x210539 |
| a | 6.919 ± 0.002 Å |
| b | 9.653 ± 0.003 Å |
| c | 19.319 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1290.3 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265615 (current) | 2021-05-29 | cif/ hkl/ Adding structures of 1562967 via cif-deposit CGI script. |
1562967.cif 1562967.hkl |
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