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Information card for entry 7225222
Preview
| Coordinates | 7225222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 N3 O2 S |
|---|---|
| Calculated formula | C19 H13 N3 O2 S |
| SMILES | n1c(c2ccccn2c1c1ccccc1)Sc1cccc(c1)N(=O)=O |
| Title of publication | Tandem Approach for the Synthesis of 3-Sulfenylimidazo[1,5-a]pyridines from Dithioesters |
| Authors of publication | Ramesh, A. B.; Pavankumar, C. S.; Sandhya, Nagarakere C.; Kumara, M. N.; Kempegowda, Mantelingu; Rangappa, Kanchugarakoppal S. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.6224 ± 0.0012 Å |
| b | 14.7044 ± 0.0019 Å |
| c | 11.8502 ± 0.0016 Å |
| α | 90° |
| β | 98.565 ± 0.004° |
| γ | 90° |
| Cell volume | 1658 ± 0.4 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182929 (current) | 2016-05-13 | cif/ Adding structures of 7225222 via cif-deposit CGI script. |
7225222.cif |
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Users of the data should acknowledge the original authors of the
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