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Information card for entry 2008593
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| Coordinates | 2008593.cif |
|---|---|
| Structure factors | 2008593.hkl |
| Original IUCr paper | HTML |
| Chemical name | p-Methoxybenzaldehyde Isonicotinoyl Hydrazone Monohydrate |
|---|---|
| Formula | C14 H15 N3 O3 |
| Calculated formula | C14 H15 N3 O3 |
| SMILES | N(NC(=O)c1ccncc1)=Cc1ccc(OC)cc1.O |
| Title of publication | <i>p</i>-Methoxybenzaldehyde isonicotinoylhydrazone monohydrate |
| Authors of publication | S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhong-Lin Lu; Wen Xiao; Ye-Xiang Tong; Bei-Sheng Kang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 942 - 944 |
| a | 7.3875 ± 0.0002 Å |
| b | 12.4718 ± 0.0003 Å |
| c | 14.8382 ± 0.0004 Å |
| α | 90° |
| β | 96.727 ± 0.001° |
| γ | 90° |
| Cell volume | 1357.71 ± 0.06 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 | 0.0722 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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