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Information card for entry 1567246
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| Coordinates | 1567246.cif |
|---|---|
| Structure factors | 1567246.hkl |
| Original IUCr paper | HTML |
| Common name | 5-Chloroisatin-3-oxime |
|---|---|
| Chemical name | (3<i>Z</i>)-5-Chloro-3-(hydroxyimino)indolin-2-one |
| Formula | C8 H5 Cl N2 O2 |
| Calculated formula | C8 H5 Cl N2 O2 |
| SMILES | C1(=O)/C(=N/O)c2cc(ccc2N1)Cl |
| Title of publication | (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one |
| Authors of publication | Martins, Bianca Barreto; Gervini, Vanessa Carratu; Pires, Fabricio Carvalho; Bortoluzzi, Adailton João; de Oliveira, Adriano Bof |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161506 |
| a | 7.4296 ± 0.0003 Å |
| b | 7.5187 ± 0.0003 Å |
| c | 14.3206 ± 0.0007 Å |
| α | 90° |
| β | 94.184 ± 0.001° |
| γ | 90° |
| Cell volume | 797.83 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0372 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276691 (current) | 2022-07-06 | cif/ hkl/ Adding structures of 1567246 via cif-deposit CGI script. |
1567246.cif 1567246.hkl |
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Users of the data should acknowledge the original authors of the
structural data.