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Information card for entry 2242297
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| Coordinates | 2242297.cif |
|---|---|
| Structure factors | 2242297.hkl |
| Original IUCr paper | HTML |
| Common name | 7-Azabicyclo[2.2.1]heptane hydrochloride |
|---|---|
| Chemical name | 7-Azabicyclo[2.2.1]heptan-7-ium chloride |
| Formula | C6 H12 Cl N |
| Calculated formula | C6 H12 Cl N |
| SMILES | [Cl-].[NH2+]1C2CCC1CC2 |
| Title of publication | The 7-azanorbornane nucleus of epibatidine: 7-azabicyclo[2.2.1]heptan-7-ium chloride |
| Authors of publication | Britvin, Sergey N.; Rumyantsev, Andrey M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 9 |
| Pages of publication | 1385 - 1388 |
| a | 9.1532 ± 0.0006 Å |
| b | 8.7029 ± 0.0008 Å |
| c | 8.7336 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 695.71 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0177 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200061 (current) | 2017-09-01 | cif/ hkl/ Adding structures of 2242297 via cif-deposit CGI script. |
2242297.cif 2242297.hkl |
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