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Information card for entry 2240821
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| Coordinates | 2240821.cif |
|---|---|
| Structure factors | 2240821.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-{[2-Methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol |
|---|---|
| Formula | C15 H11 F3 N2 O4 |
| Calculated formula | C15 H11 F3 N2 O4 |
| Title of publication | Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol |
| Authors of publication | Karadayı, Nevzat; Şahin, Songül; Köysal, Yavuz; Coşkun, Emine; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o466 - o467 |
| a | 33.0327 ± 0.0016 Å |
| b | 33.0327 ± 0.0016 Å |
| c | 7.1523 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6758.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1879 |
| Residual factor for significantly intense reflections | 0.0837 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240821.cif 2240821.hkl |
| 181908 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240821.cif 2240821.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. |
2240821.cif 2240821.hkl |
| 139189 | 2015-06-14 | cif/ hkl/ Adding structures of 2240821 via cif-deposit CGI script. |
2240821.cif 2240821.hkl |
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Users of the data should acknowledge the original authors of the
structural data.