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Information card for entry 2240704
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| Coordinates | 2240704.cif |
|---|---|
| Structure factors | 2240704.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide |
|---|---|
| Formula | C18 H21 N3 O2 |
| Calculated formula | C18 H21 N3 O2 |
| SMILES | O(c1ccc(C)cc1)CC(=O)N/N=C/c1ccc(N(C)C)cc1 |
| Title of publication | (<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide |
| Authors of publication | Usha, M. K.; Madan Kumar, S.; Nitinchandra; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o140 |
| a | 11.2237 ± 0.0006 Å |
| b | 9.4471 ± 0.0005 Å |
| c | 15.8785 ± 0.0009 Å |
| α | 90° |
| β | 100.868 ± 0.003° |
| γ | 90° |
| Cell volume | 1653.42 ± 0.16 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| 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 | 0.0816 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.2007 |
| Weighted residual factors for all reflections included in the refinement | 0.211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240704.cif 2240704.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240704.cif 2240704.hkl |
| 136860 | 2015-05-18 | cif/ hkl/ Adding structures of 2240704 via cif-deposit CGI script. |
2240704.cif 2240704.hkl |
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Users of the data should acknowledge the original authors of the
structural data.