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Information card for entry 2006603
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H10 N4 O3 |
|---|---|
| Calculated formula | C13 H10 N4 O3 |
| SMILES | O=C(N/N=C/c1ccc(N(=O)=O)cc1)c1ccncc1 |
| Title of publication | <i>p</i>-Nitrobenzaldehyde Isonicotinoylhydrazone |
| Authors of publication | Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Yu-Mei Guo; Xiao-Yang Gong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 1452 - 1454 |
| a | 7.957 ± 0.001 Å |
| b | 10.677 ± 0.001 Å |
| c | 14.909 ± 0.002 Å |
| α | 90° |
| β | 100.51 ± 0.01° |
| γ | 90° |
| Cell volume | 1245.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for all reflections | 0.1135 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Goodness-of-fit parameter for all reflections | 0.903 |
| Goodness-of-fit parameter for significantly intense reflections | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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