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Information card for entry 1543276
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| Coordinates | 1543276.cif |
|---|---|
| Structure factors | 1543276.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate |
|---|---|
| Formula | C14 H15 N3 O2 |
| Calculated formula | C14 H15 N3 O2 |
| SMILES | O=C(N/N=C/c1ccc(cc1)C)c1ccncc1.O |
| Title of publication | <i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate |
| Authors of publication | Pereira Almeida, Wanda; Paes Koury, Isabela; de Simoni, Deborah |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160752 |
| a | 6.3268 ± 0.0008 Å |
| b | 7.2868 ± 0.001 Å |
| c | 28.272 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1303.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0315 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182861 (current) | 2016-05-11 | cif/ hkl/ Adding structures of 1543276 via cif-deposit CGI script. |
1543276.cif 1543276.hkl |
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Users of the data should acknowledge the original authors of the
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