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Information card for entry 2241189
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| Coordinates | 2241189.cif |
|---|---|
| Structure factors | 2241189.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-[(<i>E</i>)-3,5-Dichloro-2-hydroxybenzylidene]-4-nitrobenzohydrazide dimethylformamide monosolvate |
|---|---|
| Formula | C17 H16 Cl2 N4 O5 |
| Calculated formula | C17 H16 Cl2 N4 O5 |
| SMILES | Clc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1ccc(N(=O)=O)cc1.O=CN(C)C |
| Title of publication | Crystal structure of <i>N</i>'-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylidene]-4-nitrobenzohydrazide dimethylformamide monosolvate |
| Authors of publication | Joseph, Bibitha; Sajitha, N. R.; Sithambaresan, M.; Seena, E. B.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o826 - o827 |
| a | 7.8853 ± 0.0006 Å |
| b | 11.9445 ± 0.001 Å |
| c | 11.9521 ± 0.0015 Å |
| α | 114.408 ± 0.006° |
| β | 102.895 ± 0.007° |
| γ | 98.939 ± 0.005° |
| Cell volume | 959.6 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.1591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241189.cif 2241189.hkl |
| 160590 | 2015-10-07 | cif/ hkl/ Adding structures of 2241189 via cif-deposit CGI script. |
2241189.cif 2241189.hkl |
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Users of the data should acknowledge the original authors of the
structural data.