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Information card for entry 2007268
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| Coordinates | 2007268.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-hydroxy-N-(4-nitrophenyl)phenethylamine |
|---|---|
| Formula | C14 H14 N2 O3 |
| Calculated formula | C14 H14 N2 O3 |
| SMILES | O=N(=O)c1ccc(NCC(O)c2ccccc2)cc1 |
| Title of publication | β-Hydroxy-<i>N</i>-(4-nitrophenyl)phenethylamine |
| Authors of publication | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | IUC9800012 |
| a | 8.282 ± 0.0002 Å |
| b | 7.8396 ± 0.0001 Å |
| c | 20.2459 ± 0.0004 Å |
| α | 90° |
| β | 99.613 ± 0.001° |
| γ | 90° |
| Cell volume | 1296.06 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0634 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections | 0.1225 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Goodness-of-fit parameter for all reflections | 1.038 |
| Goodness-of-fit parameter for significantly intense reflections | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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