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Information card for entry 2244066
Preview
| Coordinates | 2244066.cif |
|---|---|
| Structure factors | 2244066.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(1<i>H</i>-Indol-2-ylmethylidene)-4-methoxyaniline |
|---|---|
| Formula | C16 H14 N2 O |
| Calculated formula | C16 H14 N2 O |
| SMILES | O(c1ccc(/N=C/c2[nH]c3c(c2)cccc3)cc1)C |
| Title of publication | Crystal structure of <i>N</i>-(1<i>H</i>-indol-2-ylmethylidene)-4-methoxyaniline |
| Authors of publication | Taneda, Masatsugu; Nishi, Masato; Kubono, Koji; Kashiwagi, Yukiyasu; Matsumoto, Taisuke |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| Pages of publication | 449 - 452 |
| a | 5.87685 ± 0.00019 Å |
| b | 7.5999 ± 0.0003 Å |
| c | 28.4578 ± 0.0011 Å |
| α | 90° |
| β | 90.604 ± 0.003° |
| γ | 90° |
| Cell volume | 1270.95 ± 0.08 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274191 (current) | 2022-04-01 | cif/ hkl/ Adding structures of 2244066 via cif-deposit CGI script. |
2244066.cif 2244066.hkl |
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Users of the data should acknowledge the original authors of the
structural data.