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Information card for entry 2006604
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Formula | C16 H19 N3 O2 |
|---|---|
| Calculated formula | C16 H19 N3 O2 |
| SMILES | O=C(NN=Cc1ccc(N(C)C)cc1)c1ccccc1.O |
| Title of publication | <i>p</i>-(Dimethylamino)benzaldehyde Benzoylhydrazone Monohydrate |
| Authors of publication | Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Xiao-Yang Gong; Yu-Mei Guo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 1454 - 1455 |
| a | 13.531 ± 0.001 Å |
| b | 11.766 ± 0.001 Å |
| c | 10.272 ± 0.003 Å |
| α | 90° |
| β | 106.71 ± 0.01° |
| γ | 90° |
| Cell volume | 1566.3 ± 0.5 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 | 0.1472 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for all reflections | 0.1258 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Goodness-of-fit parameter for all reflections | 0.788 |
| Goodness-of-fit parameter for significantly intense reflections | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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