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Information card for entry 8106229
Preview
| Coordinates | 8106229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 N2 O3 |
|---|---|
| Calculated formula | C16 H14 N2 O3 |
| SMILES | N(/NC(=O)Cc1ccccc1)=C\c1c(C(=O)O)cccc1 |
| Title of publication | The crystal structure of 2-carboxybenzaldehyde-2-phenylacetohydrazone, C16H14N2O3 |
| Authors of publication | Peng-Fei, Li; Chang-Qing, Cao; Xi-Shi, Tai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 601 - 602 |
| a | 7.7698 ± 0.0016 Å |
| b | 8.302 ± 0.0017 Å |
| c | 12.197 ± 0.002 Å |
| α | 92.94 ± 0.03° |
| β | 107.03 ± 0.03° |
| γ | 110.41 ± 0.03° |
| Cell volume | 694.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279527 (current) | 2022-11-24 | cif/ Adding structures of 8106229 via cif-deposit CGI script. |
8106229.cif |
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Users of the data should acknowledge the original authors of the
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