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Information card for entry 2240501
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| Coordinates | 2240501.cif |
|---|---|
| Structure factors | 2240501.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-<i>N</i>'-(4-nitrobenzylidene)ethanohydrazide |
|---|---|
| Formula | C24 H22 N4 O5 |
| Calculated formula | C24 H22 N4 O5 |
| SMILES | O=N(=O)c1ccc(cc1)/C=N/NC(=O)C(=N\OC)\c1ccccc1COc1ccccc1C |
| Title of publication | Crystal structure of (2<i>E</i>)-2-methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-<i>N</i>'-(4-nitrobenzylidene)ethanohydrazide |
| Authors of publication | Shripanavar, Chetan Shrimandhar; Butcher, Ray J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 377 - 379 |
| a | 7.6821 ± 0.0004 Å |
| b | 23.2151 ± 0.0012 Å |
| c | 25.1943 ± 0.0015 Å |
| α | 90° |
| β | 95.803 ± 0.002° |
| γ | 90° |
| Cell volume | 4470.1 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240501.cif 2240501.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240501.cif 2240501.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240501.cif 2240501.hkl |
| 134094 | 2015-03-19 | cif/ hkl/ Adding structures of 2240501 via cif-deposit CGI script. |
2240501.cif 2240501.hkl |
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Users of the data should acknowledge the original authors of the
structural data.