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Information card for entry 1559407
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| Coordinates | 1559407.cif |
|---|---|
| Structure factors | 1559407.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Hydroxy-5-nitrobenzaldehyde(2'-hydroxy-5'-methylphenyl)imine |
|---|---|
| Chemical name | 6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one |
| Formula | C14 H12 N2 O4 |
| Calculated formula | C14 H12 N2 O4 |
| Title of publication | 6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one |
| Authors of publication | Böhme, Uwe; Fels, Sabine |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | x201384 |
| a | 6.5499 ± 0.0003 Å |
| b | 7.6232 ± 0.0003 Å |
| c | 25.6211 ± 0.0011 Å |
| α | 90° |
| β | 96.216 ± 0.001° |
| γ | 90° |
| Cell volume | 1271.77 ± 0.09 Å3 |
| Cell temperature | 303 ± 2 K |
| Ambient diffraction temperature | 303 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0637 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258592 (current) | 2020-10-24 | cif/ hkl/ Adding structures of 1559407 via cif-deposit CGI script. |
1559407.cif 1559407.hkl |
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Users of the data should acknowledge the original authors of the
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