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Information card for entry 8106848
Preview
| Coordinates | 8106848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 N3 O |
|---|---|
| Calculated formula | C16 H19 N3 O |
| SMILES | O=C(NN=C1C2CC3CC1CC(C2)C3)c1ccncc1 |
| Title of publication | Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O |
| Authors of publication | Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Al-Jabal, Maher M.; Fun, Hoong-Kun; El-Emam, Ali A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 273 - 275 |
| a | 8.0251 ± 0.0007 Å |
| b | 10.1627 ± 0.0009 Å |
| c | 17.0686 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1392.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281668 (current) | 2023-03-06 | cif/ Adding structures of 8106848 via cif-deposit CGI script. |
8106848.cif |
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Users of the data should acknowledge the original authors of the
structural data.