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Information card for entry 2241767
Preview
| Coordinates | 2241767.cif |
|---|---|
| Structure factors | 2241767.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-Benzoylamino-<i>N</i>'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide |
|---|---|
| Formula | C21 H17 N3 O3 S |
| Calculated formula | C21 H17 N3 O3 S |
| SMILES | C(=O)(/C(NC(=O)c1ccccc1)=C/c1sccc1)NN=Cc1ccc(O)cc1 |
| Title of publication | Crystal structure of 2-benzoylamino-<i>N</i>'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide |
| Authors of publication | Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Rathore, Ravindranath S.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 8 |
| Pages of publication | 1099 - 1102 |
| a | 22.5212 ± 0.0007 Å |
| b | 10.1879 ± 0.0004 Å |
| c | 17.3592 ± 0.0005 Å |
| α | 90° |
| β | 105.801 ± 0.003° |
| γ | 90° |
| Cell volume | 3832.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241767.cif 2241767.hkl |
| 184422 | 2016-07-13 | cif/ hkl/ Adding structures of 2241767 via cif-deposit CGI script. |
2241767.cif 2241767.hkl |
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Users of the data should acknowledge the original authors of the
structural data.