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Information card for entry 2023495
Preview
| Coordinates | 2023495.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-Cyano-<i>N</i>'-(3,4,5-trimethoxybenzylidene)acetohydrazide |
|---|---|
| Formula | C13 H15 N3 O4 |
| Calculated formula | C13 H15 N3 O4 |
| SMILES | O(c1cc(/C=N/NC(=O)CC#N)cc(OC)c1OC)C |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (E)-2-cyano-N′-(3,4,5-trimethoxybenzylidene)acetohydrazide |
| Authors of publication | Maheswari, Subramani Uma; Senthilkumar, Srinivasan; Selvanayagam, Sivashanmugam |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| a | 13.9944 ± 0.0008 Å |
| b | 11.0371 ± 0.0007 Å |
| c | 9.056 ± 0.0005 Å |
| α | 90° |
| β | 99.936 ± 0.002° |
| γ | 90° |
| Cell volume | 1377.79 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1228 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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