Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134722
Preview
| Coordinates | 7134722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H23 N5 |
|---|---|
| Calculated formula | C28 H23 N5 |
| Title of publication | Catalyst-free efficient synthesis of functionalized 1,2,4-triazole via ring opening/cyclization of arylidene thiazolone with aryl/alkyl-hydrazine |
| Authors of publication | Kumari, Akanksha; Jain, Anshul; Sharma, Himani; Selvakumar, Sermadurai; Rana, Nirmal K. |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 11.901 ± 0.002 Å |
| b | 8.437 ± 0.0015 Å |
| c | 23.343 ± 0.005 Å |
| α | 90° |
| β | 95.41 ± 0.02° |
| γ | 90° |
| Cell volume | 2333.4 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| 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 | 0.0953 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0593 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300069 (current) | 2025-06-14 | cif/ Adding structures of 7134722 via cif-deposit CGI script. |
7134722.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.