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Information card for entry 2240708
Preview
| Coordinates | 2240708.cif |
|---|---|
| Structure factors | 2240708.hkl |
| Original IUCr paper | HTML |
| Chemical name | {(<i>E</i>)-4-[(1-Allyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]benzylidene}[2-(morpholin-4-yl)ethyl]amine |
|---|---|
| Formula | C19 H25 N5 O2 |
| Calculated formula | C19 H25 N5 O2 |
| Title of publication | Crystal structure of {(<i>E</i>)-4-[(1-allyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]benzylidene}[2-(morpholin-4-yl)ethyl]amine |
| Authors of publication | Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o933 - o934 |
| a | 22.3034 ± 0.001 Å |
| b | 5.2531 ± 0.0003 Å |
| c | 16.5878 ± 0.0008 Å |
| α | 90° |
| β | 93.051 ± 0.004° |
| γ | 90° |
| Cell volume | 1940.7 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1234 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240708.cif 2240708.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240708.cif 2240708.hkl |
| 136864 | 2015-05-18 | cif/ hkl/ Adding structures of 2240708 via cif-deposit CGI script. |
2240708.cif 2240708.hkl |
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