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Information card for entry 2011956
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| Coordinates | 2011956.cif |
|---|---|
| Structure factors | 2011956.hkl |
| Original IUCr paper | HTML |
| Common name | gabapentin |
|---|---|
| Chemical name | 1-(aminomethyl)cyclohexaneacetic acid |
| Formula | C9 H17 N O2 |
| Calculated formula | C9 H17 N O2 |
| SMILES | [O-]C(=O)CC1(CCCCC1)C[NH3+] |
| Title of publication | Gabapentin and gabapentin monohydrate |
| Authors of publication | Ibers, James A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 641 - 643 |
| a | 5.8759 ± 0.0006 Å |
| b | 6.9198 ± 0.0007 Å |
| c | 22.262 ± 0.002 Å |
| α | 90° |
| β | 90.08 ± 0.002° |
| γ | 90° |
| Cell volume | 905.17 ± 0.15 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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