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Information card for entry 8106307
Preview
| Coordinates | 8106307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 N4 O2 |
|---|---|
| Calculated formula | C11 H10 N4 O2 |
| SMILES | Oc1ccccc1C(=O)NNc1ncccn1 |
| Title of publication | Crystal structure of 2-hydroxy-N′-(pyrimidin-2-yl)benzohydrazide, C11H10N4O2 |
| Authors of publication | Yuan, Juan; Xing, Ai-Ping; Cheng, Di |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 817 - 818 |
| a | 6.6161 ± 0.0007 Å |
| b | 24.064 ± 0.002 Å |
| c | 7.1768 ± 0.0009 Å |
| α | 90° |
| β | 115.463 ± 0.015° |
| γ | 90° |
| Cell volume | 1031.6 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.0554 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279647 (current) | 2022-11-30 | cif/ Adding structures of 8106307 via cif-deposit CGI script. |
8106307.cif |
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