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Information card for entry 2242215
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| Coordinates | 2242215.cif |
|---|---|
| Structure factors | 2242215.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-hydroxyquinoline-2-carboxamide monohydrate |
|---|---|
| Formula | C10 H10 N2 O3 |
| Calculated formula | C10 H10 N2 O3 |
| SMILES | O=C(NO)c1nc2ccccc2cc1.O |
| Title of publication | Crystal structure of <i>N</i>-hydroxyquinoline-2-carboxamide monohydrate |
| Authors of publication | Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Iryna V.; Shyshkina, Svitlana V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 5 |
| Pages of publication | 795 - 797 |
| a | 21.613 ± 0.004 Å |
| b | 3.8867 ± 0.0004 Å |
| c | 25.081 ± 0.005 Å |
| α | 90° |
| β | 115.37 ± 0.02° |
| γ | 90° |
| Cell volume | 1903.7 ± 0.6 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199180 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242215 via cif-deposit CGI script. |
2242215.cif 2242215.hkl |
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Users of the data should acknowledge the original authors of the
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