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Information card for entry 2240768
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| Coordinates | 2240768.cif |
|---|---|
| Structure factors | 2240768.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Chloro-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol |
|---|---|
| Formula | C15 H14 Cl N O |
| Calculated formula | C15 H14 Cl N O |
| SMILES | Clc1cc(c(O)cc1)/C=N/c1cc(c(cc1)C)C |
| Title of publication | Crystal structure of 4-chloro-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol |
| Authors of publication | Salim, Muhammad; Tahir, Muhammad Nawaz; Munawar, Munawar Ali; Shahid, Muhammad; Shad, Hazoor Ahmad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o416 |
| a | 12.1875 ± 0.001 Å |
| b | 7.4438 ± 0.0005 Å |
| c | 14.3141 ± 0.0012 Å |
| α | 90° |
| β | 101.549 ± 0.004° |
| γ | 90° |
| Cell volume | 1272.3 ± 0.17 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 | 0.0705 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240768.cif 2240768.hkl |
| 137301 | 2015-05-24 | cif/ hkl/ Adding structures of 2240768 via cif-deposit CGI script. |
2240768.cif 2240768.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.