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Information card for entry 8104785
Preview
| Coordinates | 8104785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 7-chloro-N-(4-iodinebenzyl)-1,2,3,4- tetrahydroacridin-9-amine |
|---|---|
| Formula | C20 H18 Cl I N2 |
| Calculated formula | C20 H18 Cl I N2 |
| SMILES | c12ccc(cc1c(c1c(CCCC1)n2)NCc1ccc(cc1)I)Cl |
| Title of publication | Crystal structure of 7-chloro-N-(4-iodobenzyl)-1,2,3,4-tetrahydroacridin-9-amine, C20H18ClIN2 |
| Authors of publication | Juan, Luo; Jia, Gu; Jie, Wang; Li-Hui, Liu; Da-Yong, Peng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 627 - 629 |
| a | 9.5271 ± 0.0019 Å |
| b | 16.936 ± 0.003 Å |
| c | 12.012 ± 0.002 Å |
| α | 90° |
| β | 105.06 ± 0.03° |
| γ | 90° |
| Cell volume | 1871.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273785 (current) | 2022-03-18 | cif/ Adding structures of 8104785 via cif-deposit CGI script. |
8104785.cif |
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Users of the data should acknowledge the original authors of the
structural data.