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Information card for entry 2242179
Preview
| Coordinates | 2242179.cif |
|---|---|
| Structure factors | 2242179.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide |
|---|---|
| Formula | C16 H17 N3 O |
| Calculated formula | C16 H17 N3 O |
| SMILES | N(/N=C(c1ccc(C)cc1)\C)C(=O)c1ccc(N)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide |
| Authors of publication | Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 1029 - 1032 |
| a | 5.7011 ± 0.0004 Å |
| b | 15.4836 ± 0.001 Å |
| c | 16.2128 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1431.16 ± 0.16 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0616 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199149 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242179 via cif-deposit CGI script. |
2242179.cif 2242179.hkl |
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Users of the data should acknowledge the original authors of the
structural data.