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Information card for entry 2023281
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| Coordinates | 2023281.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | <i>N</i>,<i>N</i>'-Dibenzylethylenediammonium dichloride |
|---|---|
| Chemical name | Benzyl[2-(benzylazaniumyl)ethyl]azanium dichloride |
| Formula | C16 H22 Cl2 N2 |
| Calculated formula | C16 H22 Cl2 N2 |
| Title of publication | N,N′-Dibenzylethylenediammonium dichloride |
| Authors of publication | Marmande, Mary Helene; Baxter, Bailey N.; Zeller, Matthias; Forbes, David C. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 11 |
| Pages of publication | 1130 - 1134 |
| a | 7.1738 ± 0.0004 Å |
| b | 7.2872 ± 0.0004 Å |
| c | 32.0348 ± 0.0018 Å |
| α | 90° |
| β | 91.111 ± 0.002° |
| γ | 90° |
| Cell volume | 1674.37 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296774 (current) | 2024-12-07 | cif/ Updating files of 2023281 Original log message: Adding full bibliography for 2023281.cif. |
2023281.cif |
| 295458 | 2024-10-12 | cif/ Adding structures of 2023281 via cif-deposit CGI script. |
2023281.cif |
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Users of the data should acknowledge the original authors of the
structural data.