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Information card for entry 1551537
Preview
| Coordinates | 1551537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 N2 O |
|---|---|
| Calculated formula | C10 H12 N2 O |
| SMILES | c1(c(cccc1)C1=[NH+]CC(N1)C)[O-] |
| Title of publication | Crystal Structure of 2-(4-Methylimidazolin-2-yl)phenol: an Another Polymorph |
| Authors of publication | MITSUHASHI, Ryoji; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2019 |
| Journal volume | 35 |
| Journal issue | 0 |
| Pages of publication | 9 |
| a | 12.595 ± 0.004 Å |
| b | 6.2362 ± 0.0018 Å |
| c | 11.529 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 905.5 ± 0.5 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216147 (current) | 2019-06-20 | cif/ Adding structures of 1551537 via cif-deposit CGI script. |
1551537.cif |
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