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Information card for entry 1543531
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| Coordinates | 1543531.cif |
|---|---|
| Structure factors | 1543531.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate |
|---|---|
| Formula | C10 H9 N O4 |
| Calculated formula | C10 H9 N O4 |
| Title of publication | 2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate |
| Authors of publication | Filali Baba, Yassir; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160997 |
| a | 20.7884 ± 0.0008 Å |
| b | 3.7215 ± 0.0001 Å |
| c | 23.8849 ± 0.0009 Å |
| α | 90° |
| β | 98.582 ± 0.002° |
| γ | 90° |
| Cell volume | 1827.14 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183948 (current) | 2016-06-26 | cif/ hkl/ Adding structures of 1543531 via cif-deposit CGI script. |
1543531.cif 1543531.hkl |
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Users of the data should acknowledge the original authors of the
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