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Information card for entry 1551058
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| Coordinates | 1551058.cif |
|---|---|
| Structure factors | 1551058.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide |
|---|---|
| Formula | C10 H13 N3 O3 |
| Calculated formula | C10 H13 N3 O3 |
| SMILES | N(=O)(=O)c1cc(ccc1)C/C(=N\O)N(C)C |
| Title of publication | (<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide |
| Authors of publication | Ruan, Yao; Zhao, Hui |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | x190607 |
| a | 7.774 ± 0.0006 Å |
| b | 8.4772 ± 0.0005 Å |
| c | 9.6599 ± 0.0007 Å |
| α | 66.595 ± 0.006° |
| β | 77.917 ± 0.006° |
| γ | 76.113 ± 0.006° |
| Cell volume | 562.49 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551058.cif 1551058.hkl |
| 215175 | 2019-05-15 | cif/ hkl/ Adding structures of 1551058 via cif-deposit CGI script. |
1551058.cif 1551058.hkl |
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Users of the data should acknowledge the original authors of the
structural data.