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Information card for entry 1542978
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| Coordinates | 1542978.cif |
|---|---|
| Structure factors | 1542978.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide |
|---|---|
| Formula | C18 H21 N3 O2 |
| Calculated formula | C18 H21 N3 O2 |
| SMILES | Oc1cc(/N=C/c2cccnc2NC(=O)C(C)(C)C)ccc1C |
| Title of publication | <i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide |
| Authors of publication | Atalay, Şehriman; Gerçeker, Semra; Eserci, Hande; Ağar, Erbil |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160464 |
| a | 5.8594 ± 0.0003 Å |
| b | 18.8756 ± 0.0008 Å |
| c | 16.0649 ± 0.0009 Å |
| α | 90° |
| β | 108.13 ± 0.004° |
| γ | 90° |
| Cell volume | 1688.56 ± 0.15 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.111 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| 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 | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542978.cif 1542978.hkl |
| 180630 | 2016-03-31 | cif/ hkl/ Adding structures of 1542978 via cif-deposit CGI script. |
1542978.cif 1542978.hkl |
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Users of the data should acknowledge the original authors of the
structural data.