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Information card for entry 2239831
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| Coordinates | 2239831.cif |
|---|---|
| Structure factors | 2239831.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>^1^-Phenyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine |
|---|---|
| Formula | C22 H17 N3 |
| Calculated formula | C22 H17 N3 |
| SMILES | c12ccccc1ccc(/C=N/c1ccc(cc1)Nc1ccccc1)n2 |
| Title of publication | Crystal structure of <i>N</i>^1^-phenyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine |
| Authors of publication | Faizi, Md. Serajul Haque; Mashrai, Ashraf; Garandal, Saleem; Shahid, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o905 - o906 |
| a | 17.595 ± 0.002 Å |
| b | 7.3348 ± 0.0008 Å |
| c | 12.5712 ± 0.0018 Å |
| α | 90° |
| β | 99.769 ± 0.006° |
| γ | 90° |
| Cell volume | 1598.9 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1381 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239831.cif 2239831.hkl |
| 181317 | 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 2/23/98. |
2239831.cif 2239831.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. |
2239831.cif 2239831.hkl |
| 121813 | 2014-08-10 | cif/ hkl/ Adding structures of 2239831 via cif-deposit CGI script. |
2239831.cif 2239831.hkl |
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