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CIF Information Card
Information card for 2200013
2200012 << 2200013 >> 2200014Preview
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Coordinates |
2200013.cif |
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Structure factors |
2200013.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (S)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol |
| Formula | - C16 H16 N2 O4 - |
| Calculated formula | - C16 H16 N2 O4 - |
| Title of publication | Intramolecular hydrogen transfer in (<i>S</i>)-2-[(1-benzyl-2-hydroxyethylimino)methyl]-4-nitrophenol, a new chiral Schiff base |
| Authors of publication | Pradeep, Chullikkattil P. |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | o3825 - o3827 |
| a | 5.8623 ± 0.0008 Å |
| b | 8.1322 ± 0.001 Å |
| c | 30.674 ± 0.004 Å |
| α | 90° |
| β | 91.45 ± 0.002° |
| γ | 90° |
| Cell volume | 1461.9 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.053 |
| Residual factor for observed reflections | 0.0414 |
| Weighted residual factors for the observed reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for observed reflections | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |