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Information card for entry 2240819
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| Coordinates | 2240819.cif |
|---|---|
| Structure factors | 2240819.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>tert</i>-Butyl <i>N</i>-[(<i>E</i>)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamate |
|---|---|
| Formula | C16 H23 N3 O4 |
| Calculated formula | C16 H23 N3 O4 |
| Title of publication | Different hydrogen-bonded chains in the crystal structures of three alkyl <i>N</i>-[(<i>E</i>)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamates |
| Authors of publication | Noguiera, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 752 - 756 |
| a | 10.454 ± 0.007 Å |
| b | 10.571 ± 0.007 Å |
| c | 15.664 ± 0.011 Å |
| α | 90° |
| β | 101.172 ± 0.012° |
| γ | 90° |
| Cell volume | 1698 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1274 |
| Residual factor for significantly intense reflections | 0.1039 |
| Weighted residual factors for significantly intense reflections | 0.1856 |
| Weighted residual factors for all reflections included in the refinement | 0.1969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240819.cif 2240819.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. |
2240819.cif 2240819.hkl |
| 138448 | 2015-06-06 | cif/ hkl/ Adding structures of 2240817, 2240818, 2240819 via cif-deposit CGI script. |
2240819.cif 2240819.hkl |
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Users of the data should acknowledge the original authors of the
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