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Information card for entry 2239687
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| Coordinates | 2239687.cif |
|---|---|
| Structure factors | 2239687.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>^1^-[(1<i>H</i>-Imidazol-2-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine |
|---|---|
| Formula | C16 H14 N4 |
| Calculated formula | C16 H14 N4 |
| SMILES | c1(ccccc1)Nc1ccc(cc1)/N=C/c1ncc[nH]1 |
| Title of publication | <i>N</i>^1^-[(1<i>H</i>-Imidazol-2-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine |
| Authors of publication | Faizi, Md. Serajul Haque; Mashrai, Ashraf; Shahid, M.; Ahmad, Musheer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | o806 |
| a | 15.663 ± 0.005 Å |
| b | 5.063 ± 0.003 Å |
| c | 16.8 ± 0.005 Å |
| α | 90° |
| β | 93.124 ± 0.005° |
| γ | 90° |
| Cell volume | 1330.3 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239687.cif 2239687.hkl |
| 181315 | 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 2/23/96. |
2239687.cif 2239687.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. |
2239687.cif 2239687.hkl |
| 118124 | 2014-06-26 | cif/ hkl/ Adding structures of 2239687 via cif-deposit CGI script. |
2239687.cif 2239687.hkl |
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