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Information card for entry 2243748
Preview
| Coordinates | 2243748.cif |
|---|---|
| Structure factors | 2243748.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(2,3-Dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide |
|---|---|
| Formula | C20 H19 N3 O2 |
| Calculated formula | C20 H19 N3 O2 |
| SMILES | O=C(N/N=C/c1occc1)c1c(Nc2c(c(ccc2)C)C)cccc1 |
| Title of publication | Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide |
| Authors of publication | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 3 |
| Pages of publication | 242 - 246 |
| a | 13.8467 ± 0.0003 Å |
| b | 15.8409 ± 0.0003 Å |
| c | 8.0225 ± 0.0002 Å |
| α | 90° |
| β | 104.814 ± 0.001° |
| γ | 90° |
| Cell volume | 1701.2 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261939 (current) | 2021-02-13 | cif/ hkl/ Adding structures of 2243748, 2243749 via cif-deposit CGI script. |
2243748.cif 2243748.hkl |
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