Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022755
Preview
| Coordinates | 2022755.cif |
|---|---|
| Structure factors | 2022755.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[2-(5-Methylfuran-2-yl)phenyl]-3-nitro-<i>N</i>-[(3-nitrophenyl)sulfonyl]benzenesulfonamide |
|---|---|
| Formula | C23 H17 N3 O9 S2 |
| Calculated formula | C23 H17 N3 O9 S2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of <i>N</i>-[2-(5-methyl-furan-2-yl)phen-yl]-3-nitro-<i>N</i>-[(3-nitro-phen-yl)sulfon-yl]benzene-sulfonamide. |
| Authors of publication | Mammadova, Gunay Z.; Annadurdyyeva, Selbi; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 5 |
| Pages of publication | 499 - 503 |
| a | 8.10683 ± 0.00006 Å |
| b | 19.2001 ± 0.00015 Å |
| c | 14.49754 ± 0.0001 Å |
| α | 90° |
| β | 90.8104 ± 0.0007° |
| γ | 90° |
| Cell volume | 2256.34 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284374 (current) | 2023-06-06 | cif/ Updating files of 2022755 Original log message: Adding full bibliography for 2022755.cif. |
2022755.cif 2022755.hkl |
| 282846 | 2023-04-26 | cif/ hkl/ Adding structures of 2022755 via cif-deposit CGI script. |
2022755.cif 2022755.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.