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Information card for entry 2242397
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| Coordinates | 2242397.cif |
|---|---|
| Structure factors | 2242397.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline |
|---|---|
| Formula | C13 H10 Cl N O |
| Calculated formula | C13 H10 Cl N O |
| SMILES | c1(c(O)cccc1)/N=C/c1ccc(Cl)cc1 |
| Title of publication | Reinvestigation of the crystal structure of <i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline: a three-dimensional structure containing O—H···N, O—H···O and C—H···π(arene) hydrogen bonds |
| Authors of publication | Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 376 - 379 |
| a | 13.083 ± 0.0017 Å |
| b | 5.8746 ± 0.0006 Å |
| c | 14.825 ± 0.002 Å |
| α | 90° |
| β | 101.521 ± 0.004° |
| γ | 90° |
| Cell volume | 1116.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0891 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206647 (current) | 2018-02-24 | cif/ hkl/ Adding structures of 2242397 via cif-deposit CGI script. |
2242397.cif 2242397.hkl |
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Users of the data should acknowledge the original authors of the
structural data.