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Information card for entry 1551598
Preview
| Coordinates | 1551598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 N2 O |
|---|---|
| Calculated formula | C10 H12 N2 O |
| SMILES | [O-]c1ccccc1C1=[N+][C@@H](CN1)C |
| Title of publication | Synthesis and Crystal Structure of (<i>R</i>)-2-(4-Methylimidazolin-2-yl)phenol |
| Authors of publication | MITSUHASHI, Ryoji; UEDA, Takaaki; HOSOYA, Satoshi; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2016 |
| Journal volume | 32 |
| Journal issue | 0 |
| Pages of publication | 59 |
| a | 6.345 ± 0.002 Å |
| b | 9.631 ± 0.004 Å |
| c | 7.805 ± 0.003 Å |
| α | 90° |
| β | 112.462 ± 0.005° |
| γ | 90° |
| Cell volume | 440.8 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216208 (current) | 2019-06-20 | cif/ Adding structures of 1551598 via cif-deposit CGI script. |
1551598.cif |
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Users of the data should acknowledge the original authors of the
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