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Information card for entry 1543345
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| Coordinates | 1543345.cif |
|---|---|
| Structure factors | 1543345.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide |
|---|---|
| Formula | C13 H14 N4 O |
| Calculated formula | C13 H14 N4 O |
| SMILES | O=C(N/N=C/c1ccc(cc1)C)c1n[nH]c(C)c1 |
| Title of publication | 5-Methyl-<i>N</i>'-[(<i>Z</i>)-4-methylbenzylidene]-1<i>H</i>-pyrazole-3-carbohydrazide |
| Authors of publication | Karrouchi, Khalid; Ramli, Youssef; Taoufik, Jamal; Radi, Smaail; Ansar, Mhammed; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160793 |
| a | 6.3283 ± 0.0001 Å |
| b | 19.6204 ± 0.0004 Å |
| c | 10.1245 ± 0.0002 Å |
| α | 90° |
| β | 105.746 ± 0.001° |
| γ | 90° |
| Cell volume | 1209.92 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183061 (current) | 2016-05-21 | cif/ hkl/ Adding structures of 1543345 via cif-deposit CGI script. |
1543345.cif 1543345.hkl |
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Users of the data should acknowledge the original authors of the
structural data.