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Information card for entry 2240328
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| Coordinates | 2240328.cif |
|---|---|
| Structure factors | 2240328.hkl |
| Original IUCr paper | HTML |
| Common name | DQMBD |
|---|---|
| Chemical name | <i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine |
| Formula | C20 H21 N3 |
| Calculated formula | C20 H21 N3 |
| SMILES | c12ccccc1ccc(/C=N/c1ccc(cc1)N(CC)CC)n2 |
| Title of publication | Crystal structure of <i>N</i>^1^,<i>N</i>^1^-diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine |
| Authors of publication | Faizi, Md. Serajul Haque; Siddiqui, Nazia; Javed, Saleem |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o49 - o50 |
| a | 20.354 ± 0.005 Å |
| b | 7.534 ± 0.005 Å |
| c | 21.801 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3343 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1322 |
| Residual factor for significantly intense reflections | 0.0839 |
| Weighted residual factors for significantly intense reflections | 0.1725 |
| Weighted residual factors for all reflections included in the refinement | 0.1952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240328.cif 2240328.hkl |
| 181323 | 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 2/24/03. |
2240328.cif 2240328.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. |
2240328.cif 2240328.hkl |
| 128878 | 2014-12-21 | cif/ hkl/ Adding structures of 2240328 via cif-deposit CGI script. |
2240328.cif 2240328.hkl |
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Users of the data should acknowledge the original authors of the
structural data.