Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107515
Preview
| Coordinates | 8107515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Cl N3 O3 |
|---|---|
| Calculated formula | C14 H10 Cl N3 O3 |
| SMILES | Clc1ccc(C(=O)N/N=C/c2c(N(=O)=O)cccc2)cc1 |
| Title of publication | Crystal structure of 4-chloro-N′-[(1E)-(2-nitrophenyl)methylidene]benzohydrazide, C14H10ClN3O3 |
| Authors of publication | Al-Wahaibi, Lamya H.; Blacque, Olivier; Tiekink, Edward R. T.; El-Emam, Ali A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 631 - 633 |
| a | 4.8813 ± 0.0002 Å |
| b | 6.7806 ± 0.0002 Å |
| c | 10.3135 ± 0.0002 Å |
| α | 98.101 ± 0.002° |
| β | 94.174 ± 0.002° |
| γ | 97.612 ± 0.003° |
| Cell volume | 333.515 ± 0.018 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286404 (current) | 2023-09-19 | cif/ Adding structures of 8107515 via cif-deposit CGI script. |
8107515.cif |
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.