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Information card for entry 2241258
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| Coordinates | 2241258.cif |
|---|---|
| Structure factors | 2241258.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-5-phenyl-1-(<i>p</i>-tolyl)pent-2-en-4-yn-1-ylidene]hydrazine |
|---|---|
| Formula | C24 H18 N4 O4 |
| Calculated formula | C24 H18 N4 O4 |
| SMILES | O=N(=O)c1c(N/N=C(\C=C\C#Cc2ccccc2)c2ccc(cc2)C)ccc(N(=O)=O)c1 |
| Title of publication | Crystal structure of (<i>E</i>)-1-(2,4-dinitrophenyl)-2-[(<i>E</i>)-5-phenyl-1-(<i>p</i>-tolyl)pent-2-en-4-yn-1-ylidene]hydrazine |
| Authors of publication | Golovanov, Alexander A.; Vologzhanina, Anna V.; Voronova, Evgeniya D.; Bekin, Vadim V.; Naumov, Sergey V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o846 - o847 |
| a | 18.481 ± 0.0006 Å |
| b | 6.1674 ± 0.0002 Å |
| c | 19.2366 ± 0.0012 Å |
| α | 90° |
| β | 109.902 ± 0.005° |
| γ | 90° |
| Cell volume | 2061.63 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1359 |
| Residual factor for significantly intense reflections | 0.0907 |
| Weighted residual factors for significantly intense reflections | 0.2373 |
| Weighted residual factors for all reflections included in the refinement | 0.2833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241258.cif 2241258.hkl |
| 169848 | 2015-10-29 | cif/ hkl/ Adding structures of 2241258 via cif-deposit CGI script. |
2241258.cif 2241258.hkl |
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Users of the data should acknowledge the original authors of the
structural data.