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Information card for entry 2006066
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| Coordinates | 2006066.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N'-Ethoxiyarbonyl-1-Methylpyrrole-2-carbohydrazide. |
|---|---|
| Formula | C9 H13 N3 O3 |
| Calculated formula | C9 H13 N3 O3 |
| SMILES | CCOC(=O)NNC(=O)c1cccn1C |
| Title of publication | Ethyl <i>N</i>-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate |
| Authors of publication | Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 490 - 491 |
| a | 9.363 ± 0.001 Å |
| b | 9.363 ± 0.001 Å |
| c | 11.015 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 836.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Goodness-of-fit parameter for significantly intense reflections | 1.734 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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