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Information card for entry 8106575
Preview
| Coordinates | 8106575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-aminopropylazanium iodide |
|---|---|
| Chemical name | 3-aminopropan-1-aminium iodide |
| Formula | C3 H11 I N2 |
| Calculated formula | C3 H11 I N2 |
| SMILES | [I-].[NH3+]CCCN |
| Title of publication | The crystal structure of 3-aminopropan-1-aminium iodide, C3H11N2I |
| Authors of publication | Arderne, Charmaine; Batchelor, Kyle F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 477 - 478 |
| a | 5.0152 ± 0.0002 Å |
| b | 10.147 ± 0.0004 Å |
| c | 14.1852 ± 0.0005 Å |
| α | 90° |
| β | 96.501 ± 0.002° |
| γ | 90° |
| Cell volume | 717.23 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 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 | 0.024 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.0411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280581 (current) | 2023-01-25 | cif/ Adding structures of 8106575 via cif-deposit CGI script. |
8106575.cif |
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Users of the data should acknowledge the original authors of the
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