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Information card for entry 2214239
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| Coordinates | 2214239.cif |
|---|---|
| Structure factors | 2214239.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Hydroxy-6-[(m-tolyliminio)methyl]phenolate |
|---|---|
| Formula | C14 H13 N O2 |
| Calculated formula | C14 H13 N O2 |
| SMILES | [O-]c1c(O)cccc1/C=[NH+]/c1cc(ccc1)C |
| Title of publication | 2-Hydroxy-6-[(<i>m</i>-tolyliminio)methyl]phenolate |
| Authors of publication | Shuja, Shaukat; Ali, Saqib; Khalid, Nasir; Meetsma, Auke |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3162 - o3164 |
| a | 7.7094 ± 0.0007 Å |
| b | 10.5939 ± 0.0009 Å |
| c | 14.8307 ± 0.0013 Å |
| α | 72.274 ± 0.0015° |
| β | 83.067 ± 0.0016° |
| γ | 74.258 ± 0.0015° |
| Cell volume | 1109.52 ± 0.17 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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