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Information card for entry 2240701
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| Coordinates | 2240701.cif |
|---|---|
| Structure factors | 2240701.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>-(3,4-Dimethoxybenzylidene)morpholin-4-amine |
|---|---|
| Formula | C13 H18 N2 O3 |
| Calculated formula | C13 H18 N2 O3 |
| SMILES | O1CCN(/N=C/c2ccc(OC)c(OC)c2)CC1 |
| Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>-(3,4-dimethoxybenzylidene)morpholin-4-amine |
| Authors of publication | Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o935 |
| a | 9.1644 ± 0.0006 Å |
| b | 6.0277 ± 0.0006 Å |
| c | 13.1327 ± 0.0009 Å |
| α | 90° |
| β | 109.989 ± 0.005° |
| γ | 90° |
| Cell volume | 681.75 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0836 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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 |
2240701.cif 2240701.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. |
2240701.cif 2240701.hkl |
| 136857 | 2015-05-18 | cif/ hkl/ Adding structures of 2240701 via cif-deposit CGI script. |
2240701.cif 2240701.hkl |
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Users of the data should acknowledge the original authors of the
structural data.