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Information card for entry 2243825
Preview
| Coordinates | 2243825.cif |
|---|---|
| Structure factors | 2243825.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(<i>Z</i>)-(2-Hydroxyphenyl)methylidene]aniline <i>N</i>-oxide |
|---|---|
| Formula | C13 H11 N O2 |
| Calculated formula | C13 H11 N O2 |
| SMILES | Oc1c(cccc1)C=N(=O)c1ccccc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(<i>Z</i>)-(2-hydroxyphenyl)methylidene]aniline <i>N</i>-oxide |
| Authors of publication | Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; Aly, Moustafa F.; Akkurt, Mehmet; Elgarhy, Sahar M. I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 596 - 599 |
| a | 5.5391 ± 0.0001 Å |
| b | 5.7873 ± 0.0002 Å |
| c | 16.0859 ± 0.0004 Å |
| α | 90° |
| β | 99.067 ± 0.001° |
| γ | 90° |
| Cell volume | 509.21 ± 0.02 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265127 (current) | 2021-05-12 | cif/ hkl/ Adding structures of 2243825 via cif-deposit CGI script. |
2243825.cif 2243825.hkl |
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Users of the data should acknowledge the original authors of the
structural data.