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Information card for entry 8106115
Preview
| Coordinates | 8106115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H11 Cl N2 O |
|---|---|
| Calculated formula | C13 H11 Cl N2 O |
| SMILES | Clc1ccc(O)c(c1)/C=N/c1ncc(cc1)C |
| Title of publication | The crystal structure of (E)-4-chloro-2-(((5-methylpyridin-2-yl)imino)methyl)phenol, C13H11ClN2O |
| Authors of publication | Pu, Xiaohua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 2 |
| Pages of publication | 253 - 254 |
| a | 13.997 ± 0.005 Å |
| b | 4.6734 ± 0.0015 Å |
| c | 18.019 ± 0.007 Å |
| α | 90° |
| β | 102.714 ± 0.005° |
| γ | 90° |
| Cell volume | 1149.8 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279319 (current) | 2022-11-16 | cif/ Adding structures of 8106115 via cif-deposit CGI script. |
8106115.cif |
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