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Information card for entry 8106761
Preview
| Coordinates | 8106761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 N3 O3 |
|---|---|
| Calculated formula | C15 H13 N3 O3 |
| SMILES | O=C(N/N=C/c1nc2ccccc2cc1)c1occc1.O |
| Title of publication | The crystal structure of (E)-N′-(quinolin-2-ylmethylene)furan-2-carbohydrazide monohydrate, C15H13N3O3 |
| Authors of publication | Li-Hua, Wang; Xi-Shi, Tai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 1037 - 1038 |
| a | 6.4662 ± 0.0013 Å |
| b | 7.1213 ± 0.0014 Å |
| c | 15.373 ± 0.003 Å |
| α | 80.09 ± 0.03° |
| β | 88.4 ± 0.03° |
| γ | 74.81 ± 0.03° |
| Cell volume | 672.9 ± 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1446 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280865 (current) | 2023-02-13 | cif/ Adding structures of 8106761 via cif-deposit CGI script. |
8106761.cif |
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Users of the data should acknowledge the original authors of the
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