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Information card for entry 7244463
Preview
| Coordinates | 7244463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 N2 O2 S |
|---|---|
| Calculated formula | C10 H8 N2 O2 S |
| SMILES | s1c2c(nc1C#N)cc(OC)c(OC)c2 |
| Title of publication | Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles |
| Authors of publication | Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 6133 - 6148 |
| a | 3.9979 ± 0.0002 Å |
| b | 15.5449 ± 0.0011 Å |
| c | 15.9729 ± 0.0008 Å |
| α | 90° |
| β | 90.509 ± 0.004° |
| γ | 90° |
| Cell volume | 992.63 ± 0.1 Å3 |
| Cell temperature | 297 ± 0.1 K |
| Ambient diffraction temperature | 297 ± 0.1 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273077 (current) | 2022-02-22 | cif/ Adding structures of 7244462, 7244463, 7244464, 7244465, 7244466 via cif-deposit CGI script. |
7244463.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.