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Information card for entry 2008147
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| Coordinates | 2008147.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4-aminohippuric acid |
|---|---|
| Formula | C9 H10 N2 O3 |
| Calculated formula | C9 H10 N2 O3 |
| SMILES | O=C(c1ccc(cc1)N)NCC(=O)O |
| Title of publication | Hydrogen bonding in 4-aminohippuric acid |
| Authors of publication | Dobson, Allison J.; Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 206 - 208 |
| a | 10.253 ± 0.001 Å |
| b | 11.2035 ± 0.0009 Å |
| c | 8.008 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 919.87 ± 0.16 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.059 |
| Goodness-of-fit parameter for significantly intense reflections | 1.76 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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