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Information card for entry 1549174
Preview
| Coordinates | 1549174.cif |
|---|---|
| Structure factors | 1549174.hkl |
| Original IUCr paper | HTML |
| Formula | C14 H13 N O |
|---|---|
| Calculated formula | C14 H13 N O |
| SMILES | Oc1c(cc(cc1)C)/C=N/c1ccccc1 |
| Title of publication | (<i>E</i>)-4-Methyl-2-(<i>N</i>-phenylcarboximidoyl)phenol |
| Authors of publication | Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | x180464 |
| a | 4.6976 ± 0.0004 Å |
| b | 19.3656 ± 0.0018 Å |
| c | 12.3116 ± 0.0012 Å |
| α | 90° |
| β | 95.831 ± 0.003° |
| γ | 90° |
| Cell volume | 1114.21 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 all reflections | 0.1205 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207161 (current) | 2018-03-28 | cif/ hkl/ Adding structures of 1549174 via cif-deposit CGI script. |
1549174.cif 1549174.hkl |
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Users of the data should acknowledge the original authors of the
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