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Information card for entry 2244056
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| Coordinates | 2244056.cif |
|---|---|
| Structure factors | 2244056.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(2-Hydroxyphenyl)quinoline-6-sulfonamide |
|---|---|
| Formula | C15 H12 N2 O3 S |
| Calculated formula | C15 H12 N2 O3 S |
| SMILES | S(=O)(=O)(N)c1cc2c(nc(c3c(O)cccc3)cc2)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 2-(2-hydroxyphenyl)quinoline-6-sulfonamide |
| Authors of publication | Benarous, Nesrine; Moussa Slimane, Nabila; Bougueria, Hassiba; Boutebdja, Mehdi; Cherouana, Aouatef |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 5.7667 ± 0.0002 Å |
| b | 28.4129 ± 0.0007 Å |
| c | 15.5339 ± 0.0005 Å |
| α | 90° |
| β | 91.728 ± 0.003° |
| γ | 90° |
| Cell volume | 2544.05 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.092 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1562 |
| Weighted residual factors for all reflections included in the refinement | 0.1838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273775 (current) | 2022-03-18 | cif/ hkl/ Adding structures of 2244056 via cif-deposit CGI script. |
2244056.cif 2244056.hkl |
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Users of the data should acknowledge the original authors of the
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