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Information card for entry 2240621
Preview
| Coordinates | 2240621.cif |
|---|---|
| Structure factors | 2240621.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Hydroxy-2-nitrobenzaldehyde |
|---|---|
| Formula | C7 H5 N O4 |
| Calculated formula | C7 H5 N O4 |
| SMILES | O=N(=O)c1ccc(O)cc1C=O |
| Title of publication | Cystal structre of 5-hydroxy-2-nitrobenzaldehyde |
| Authors of publication | Bano, Huma; Yousuf, Sammer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o328 - o329 |
| a | 9.6648 ± 0.0018 Å |
| b | 5.0917 ± 0.001 Å |
| c | 14.92 ± 0.003 Å |
| α | 90° |
| β | 106.159 ± 0.004° |
| γ | 90° |
| Cell volume | 705.2 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0662 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240621.cif 2240621.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240621.cif 2240621.hkl |
| 136413 | 2015-05-13 | cif/ hkl/ Adding structures of 2240621 via cif-deposit CGI script. |
2240621.cif 2240621.hkl |
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Users of the data should acknowledge the original authors of the
structural data.