Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240678
Preview
| Coordinates | 2240678.cif |
|---|---|
| Structure factors | 2240678.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(2-Azidophenyl)-5-benzoyl-2-(1<i>H</i>-indol-3-yl)-1<i>H</i>-pyrrole-3-carbonitrile |
|---|---|
| Formula | C26 H16 N6 O |
| Calculated formula | C26 H16 N6 O |
| Title of publication | Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1<i>H</i>-indol-3-yl)-1<i>H</i>-pyrrole-3-carbonitrile |
| Authors of publication | Vimala, G.; Raja, J. Kamal; Naaz, Y. Amina; Preumal, P. T.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o335 - o336 |
| a | 8.1834 ± 0.0006 Å |
| b | 11.3713 ± 0.0008 Å |
| c | 12.6853 ± 0.0008 Å |
| α | 108.07 ± 0.003° |
| β | 105.164 ± 0.004° |
| γ | 90.256 ± 0.003° |
| Cell volume | 1078.42 ± 0.13 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 | 0.0695 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240678.cif 2240678.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240678.cif 2240678.hkl |
| 136460 | 2015-05-13 | cif/ hkl/ Adding structures of 2240678 via cif-deposit CGI script. |
2240678.cif 2240678.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.