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Information card for entry 1573728
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| Coordinates | 1573728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2 |
|---|---|
| Chemical name | 3-{(E)-[(2,4-dihydroxyphenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one |
| Formula | C16 H13 N3 O3 |
| Calculated formula | C16 H13 N3 O3 |
| a | 3.9386 ± 0.0001 Å |
| b | 29.5669 ± 0.0007 Å |
| c | 11.7999 ± 0.0002 Å |
| α | 90° |
| β | 96.592 ± 0.002° |
| γ | 90° |
| Cell volume | 1365.04 ± 0.05 Å3 |
| Cell temperature | 294.98 ± 0.11 K |
| Ambient diffraction temperature | 294.98 ± 0.11 K |
| Number of distinct elements | 4 |
| 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297402 (current) | 2025-01-22 | cif/ Adding structures of 1573726, 1573727, 1573728, 1573729, 1573730 via cif-deposit CGI script. |
1573728.cif |
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Users of the data should acknowledge the original authors of the
structural data.