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Information card for entry 2202599
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| Coordinates | 2202599.cif |
|---|---|
| Structure factors | 2202599.hkl |
| Original IUCr paper | HTML |
| Formula | C20 H15 N3 O3 |
|---|---|
| Calculated formula | C20 H15 N3 O3 |
| SMILES | O=N(=O)c1ccc(N\N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 |
| Title of publication | Benzil 4-nitrophenylhydrazone |
| Authors of publication | Shang Shan; Hai-Gang Yu; Wei-Xiao Hu; Duan-Jun Xu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 12 |
| Pages of publication | o1886 - o1887 |
| a | 29.2648 ± 0.0015 Å |
| b | 7.1628 ± 0.001 Å |
| c | 16.4396 ± 0.0013 Å |
| α | 90° |
| β | 98.601 ± 0.01° |
| γ | 90° |
| Cell volume | 3407.3 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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