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Information card for entry 2243888
Preview
| Coordinates | 2243888.cif |
|---|---|
| Structure factors | 2243888.hkl |
| Original IUCr paper | HTML |
| Chemical name | (3<i>Z</i>)-7-Methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3<i>H</i>)-one |
|---|---|
| Formula | C15 H12 N2 O3 |
| Calculated formula | C15 H12 N2 O3 |
| SMILES | O1C(=O)/C(=N\Nc2ccccc2)c2cccc(OC)c12 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (3<i>Z</i>)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3<i>H</i>)-one |
| Authors of publication | Atioğlu, Zeliha; Akkurt, Mehmet; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Askerov, Rizvan K.; Mlowe, Sixberth |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 17.436 ± 0.002 Å |
| b | 7.2485 ± 0.0007 Å |
| c | 20.595 ± 0.002 Å |
| α | 90° |
| β | 99.181 ± 0.004° |
| γ | 90° |
| Cell volume | 2569.6 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1274 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267991 (current) | 2021-08-07 | cif/ hkl/ Adding structures of 2243888 via cif-deposit CGI script. |
2243888.cif 2243888.hkl |
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Users of the data should acknowledge the original authors of the
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