Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023001
Preview
| Coordinates | 2023001.cif |
|---|---|
| Structure factors | 2023001.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-[2-(2-Amino-1-cyano-2-oxoethylidene)hydrazin-1-yl]benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
|---|---|
| Formula | C13 H15 N5 O4 |
| Calculated formula | C13 H15 N5 O4 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid <i>N</i>,<i>N</i>-di-methylformamide monosolvate. |
| Authors of publication | Hajiyeva, Sevinc R.; Huseynov, Fatali E.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 2 |
| Pages of publication | 110 - 116 |
| a | 7.9481 ± 0.0007 Å |
| b | 12.8523 ± 0.0013 Å |
| c | 14.8737 ± 0.0015 Å |
| α | 96.651 ± 0.004° |
| β | 96.96 ± 0.003° |
| γ | 90.548 ± 0.003° |
| Cell volume | 1497.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1068 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.1856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290330 (current) | 2024-03-05 | cif/ Updating files of 2023001 Original log message: Adding full bibliography for 2023001.cif. |
2023001.cif 2023001.hkl |
| 289010 | 2024-01-10 | cif/ hkl/ Adding structures of 2023001 via cif-deposit CGI script. |
2023001.cif 2023001.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.