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Information card for entry 8105078
Preview
| Coordinates | 8105078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 N3 |
|---|---|
| Calculated formula | C17 H15 N3 |
| SMILES | c1n(ccn1)c1ccc(cc1)/N=C/c1c(C)cccc1 |
| Title of publication | Crystal structure of (E)-N-[4-(1H)-imidazolyl phenyl]-(2-methylphenyl)methanimine, C17H15N3 |
| Authors of publication | Liu, Jie; Cheng, Ruo-Liu; Yu, Shu-Zhen; Zou, Ying |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 267 - 268 |
| a | 11.6325 ± 0.0011 Å |
| b | 7.8196 ± 0.0007 Å |
| c | 15.5644 ± 0.0015 Å |
| α | 90° |
| β | 106.288 ± 0.002° |
| γ | 90° |
| Cell volume | 1358.9 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274742 (current) | 2022-04-28 | cif/ Adding structures of 8105078 via cif-deposit CGI script. |
8105078.cif |
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Users of the data should acknowledge the original authors of the
structural data.