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Information card for entry 2237771
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| Coordinates | 2237771.cif |
|---|---|
| Structure factors | 2237771.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline |
|---|---|
| Formula | C16 H18 N2 |
| Calculated formula | C16 H18 N2 |
| SMILES | Cc1ccc(cc1)/N=C/c1ccc(cc1)N(C)C |
| Title of publication | <i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline |
| Authors of publication | Balachandar, R. K.; Kalainathan, S.; Eappen, Shibu M.; Podder, Jiban |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o905 |
| a | 10.4814 ± 0.001 Å |
| b | 8.0528 ± 0.0008 Å |
| c | 32.571 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2749.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/77. |
2237771.cif 2237771.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237771.cif 2237771.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237771.cif 2237771.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237771.cif 2237771.hkl |
| 86435 | 2013-07-11 | cif/ Adding structures of 2237771 via cif-deposit CGI script. |
2237771.cif |
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Users of the data should acknowledge the original authors of the
structural data.