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Information card for entry 2022866
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| Coordinates | 2022866.cif |
|---|---|
| Structure factors | 2022866.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-[(Benzo[<i>d</i>]thiazol-2-ylimino)methyl]-5-(diethylamino)phenol |
|---|---|
| Formula | C18 H19 N3 O S |
| Calculated formula | C18 H19 N3 O S |
| Title of publication | Unusual reaction of (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties. |
| Authors of publication | Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 982 - 987 |
| a | 7.2881 ± 0.0002 Å |
| b | 22.0453 ± 0.0008 Å |
| c | 10.2761 ± 0.0003 Å |
| α | 90° |
| β | 90.28 ± 0.003° |
| γ | 90° |
| Cell volume | 1651.02 ± 0.09 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0667 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288127 (current) | 2023-12-07 | cif/ Updating files of 2022866, 2022867 Original log message: Adding full bibliography for 2022866--2022867.cif. |
2022866.cif 2022866.hkl |
| 286649 | 2023-10-04 | cif/ hkl/ Adding structures of 2022866, 2022867 via cif-deposit CGI script. |
2022866.cif 2022866.hkl |
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