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Information card for entry 2206877
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| Coordinates | 2206877.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Isatin 3-benzoylhydrazone |
|---|---|
| Chemical name | 2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde benzoylhydrazone |
| Formula | C15 H11 N3 O2 |
| Calculated formula | C15 H11 N3 O2 |
| SMILES | O=C(N\N=C1/C(=O)Nc2ccccc12)c1ccccc1 |
| Title of publication | Isatin 3-benzoylhydrazone: a monoclinic form |
| Authors of publication | Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3285 - o3286 |
| a | 8.9279 ± 0.0006 Å |
| b | 12.1099 ± 0.0009 Å |
| c | 11.7567 ± 0.0009 Å |
| α | 90° |
| β | 95.117 ± 0.001° |
| γ | 90° |
| Cell volume | 1266.02 ± 0.16 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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