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Information card for entry 2200328
Preview
| Coordinates | 2200328.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C10 H10 N2 O |
|---|---|
| Calculated formula | C10 H10 N2 O |
| SMILES | Oc1c(n2cncc2)cc(cc1)C |
| Title of publication | 2-(Imidazol-1-yl)-4-methylphenol |
| Authors of publication | Yoshinori Naruta; Yoshimitsu Tachi; Takefumi Chishiro; Yuichi Shimazaki; Fumito Tani |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | o550 - o552 |
| a | 6.3521 ± 0.0007 Å |
| b | 10.4406 ± 0.0006 Å |
| c | 13.523 ± 0.001 Å |
| α | 90° |
| β | 97.199 ± 0.004° |
| γ | 90° |
| Cell volume | 889.77 ± 0.13 Å3 |
| Cell temperature | 123.2 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 significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.604 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.