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Information card for entry 1545019
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| Coordinates | 1545019.cif |
|---|---|
| Structure factors | 1545019.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol |
|---|---|
| Formula | C14 H14 N2 O |
| Calculated formula | C14 H14 N2 O |
| SMILES | Oc1c(/C=N/c2ncc(cc2)C)cccc1C |
| Title of publication | (<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol |
| Authors of publication | Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x162009 |
| a | 23.44 ± 0.003 Å |
| b | 4.6307 ± 0.0006 Å |
| c | 10.6408 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1155 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190049 (current) | 2017-01-08 | cif/ hkl/ Adding structures of 1545019 via cif-deposit CGI script. |
1545019.cif 1545019.hkl |
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Users of the data should acknowledge the original authors of the
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