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Information card for entry 2243227
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| Coordinates | 2243227.cif |
|---|---|
| Structure factors | 2243227.hkl |
| Original IUCr paper | HTML |
| Common name | Bis{4-[(2-hydroxy-3-nitro-5-methoxybenzylidene)amino]phenyl} ether |
|---|---|
| Chemical name | 2-[<i>N</i>-(4-{4-[(2-Hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenoxy}phenyl)carboximidoyl]-4-methoxy-6-nitrophenol |
| Formula | C28 H22 N4 O9 |
| Calculated formula | C28 H22 N4 O9 |
| SMILES | c1cc(Oc2ccc(/N=C/c3cc(cc(c3O)N(=O)=O)OC)cc2)ccc1/N=C/c1cc(cc(c1O)N(=O)=O)OC |
| Title of publication | Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether |
| Authors of publication | Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Mohiuddin, Md.; Sarker, Md. Sohug; Salim, Mohammad; Alam, Md. Mahbubul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 91 - 94 |
| a | 15.954 ± 0.004 Å |
| b | 5.4599 ± 0.0012 Å |
| c | 28.397 ± 0.006 Å |
| α | 90° |
| β | 92.299 ± 0.005° |
| γ | 90° |
| Cell volume | 2471.6 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1041 |
| Residual factor for significantly intense reflections | 0.0996 |
| Weighted residual factors for significantly intense reflections | 0.3485 |
| Weighted residual factors for all reflections included in the refinement | 0.3525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245481 (current) | 2019-12-21 | cif/ hkl/ Adding structures of 2243227 via cif-deposit CGI script. |
2243227.cif 2243227.hkl |
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