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Information card for entry 7245718
Preview
| Coordinates | 7245718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 N3 O2 S |
|---|---|
| Calculated formula | C14 H13 N3 O2 S |
| SMILES | S(=O)(=O)(n1nc(c2c1cccc2)N)c1ccc(cc1)C |
| Title of publication | Copper-catalyzed cross coupling reaction of sulfonyl hydrazides with 3-aminoindazoles |
| Authors of publication | Feng, Guipeng; Meng, Jie; Xu, Shaohong; Gao, Yao; Zhu, Yingying; Huang, Ziyu |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 47 |
| Pages of publication | 30432 - 30435 |
| a | 8.3551 ± 0.0008 Å |
| b | 11.7955 ± 0.0011 Å |
| c | 14.748 ± 0.0013 Å |
| α | 90° |
| β | 104.633 ± 0.002° |
| γ | 90° |
| Cell volume | 1406.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278792 (current) | 2022-10-26 | cif/ Adding structures of 7245718 via cif-deposit CGI script. |
7245718.cif |
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Users of the data should acknowledge the original authors of the
structural data.