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Information card for entry 2231196
Preview
| Coordinates | 2231196.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-Benzoyl-<i>N</i>-(3-methylphenyl)-<i>O</i>-[2-(2- nitrophenyl)acetyl]hydroxylamine |
|---|---|
| Formula | C22 H18 N2 O5 |
| Calculated formula | C22 H18 N2 O5 |
| SMILES | c1(ccccc1CC(=O)ON(C(=O)c1ccccc1)c1cc(ccc1)C)N(=O)=O |
| Title of publication | <i>N</i>-Benzoyl-<i>N</i>-(3-methylphenyl)-<i>O</i>-[2-(2-nitrophenyl)acetyl]hydroxylamine |
| Authors of publication | Zhang, Kai; He, Dian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o1966 |
| a | 16.34 ± 0.02 Å |
| b | 8.459 ± 0.01 Å |
| c | 14.862 ± 0.018 Å |
| α | 90° |
| β | 109.869 ± 0.011° |
| γ | 90° |
| Cell volume | 1932 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.088 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections | 1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2231196.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231196.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231196.cif |
| 27108 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231196 via cif-deposit CGI script. |
2231196.cif |
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Users of the data should acknowledge the original authors of the
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