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Information card for entry 2214498
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| Coordinates | 2214498.cif |
|---|---|
| Structure factors | 2214498.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Bromo-<i>N</i>'-[(E)-4-chlorobenzylidene]-5-methoxybenzohydrazide |
|---|---|
| Formula | C15 H12 Br Cl N2 O2 |
| Calculated formula | C15 H12 Br Cl N2 O2 |
| SMILES | Brc1ccc(OC)cc1C(=O)N/N=C/c1ccc(Cl)cc1 |
| Title of publication | 2-Bromo-<i>N</i>'-[(<i>E</i>)-4-chlorobenzylidene]-5-methoxybenzohydrazide |
| Authors of publication | Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Sunil, K.; Yathirajan, H. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3652 - o3652 |
| a | 7.2921 ± 0.0003 Å |
| b | 21.7635 ± 0.0009 Å |
| c | 9.5067 ± 0.0004 Å |
| α | 90° |
| β | 95.268 ± 0.004° |
| γ | 90° |
| Cell volume | 1502.36 ± 0.11 Å3 |
| Cell temperature | 203 K |
| Ambient diffraction temperature | 203 K |
| Number of distinct elements | 6 |
| 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 | 0.1167 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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