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Information card for entry 1542901
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| Coordinates | 1542901.cif |
|---|---|
| Structure factors | 1542901.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide |
|---|---|
| Formula | C16 H16 N2 O2 |
| Calculated formula | C16 H16 N2 O2 |
| SMILES | Cc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1 |
| Title of publication | (<i>E</i>)-4-Methoxy-<i>N</i>'-(4-methylbenzylidene)benzohydrazide |
| Authors of publication | Maheswari, R.; Manjula, J.; Gunasekaran, B. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160431 |
| a | 11.7678 ± 0.0007 Å |
| b | 13.0072 ± 0.0007 Å |
| c | 9.9025 ± 0.0006 Å |
| α | 90° |
| β | 112.371 ± 0.002° |
| γ | 90° |
| Cell volume | 1401.66 ± 0.14 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1542901.cif 1542901.hkl |
| 178350 | 2016-03-19 | cif/ hkl/ Adding structures of 1542901 via cif-deposit CGI script. |
1542901.cif 1542901.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.