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Information card for entry 8107688
Preview
| Coordinates | 8107688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H19 N3 O |
|---|---|
| Calculated formula | C24 H19 N3 O |
| SMILES | c1cccc2c1ccc(n2)N1C(CC(c2c(cccc2)O)=N1)c1ccccc1 |
| Title of publication | Crystal structure of 2-(5-phenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol, C24H19N3O |
| Authors of publication | Zeng, Dai; Tan, Kai; Fang, Ziyan; Xing, Aiping |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1153 - 1155 |
| a | 10.4783 ± 0.0005 Å |
| b | 11.7171 ± 0.0005 Å |
| c | 14.9194 ± 0.0006 Å |
| α | 90° |
| β | 93.991 ± 0.002° |
| γ | 90° |
| Cell volume | 1827.29 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287808 (current) | 2023-11-27 | cif/ Adding structures of 8107688 via cif-deposit CGI script. |
8107688.cif |
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Users of the data should acknowledge the original authors of the
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